SCHEMBL429356

SCHEMBL429356

COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
POLB P06746 2/20 0.65
CYP2C19 P33261 2/20 0.56
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD11B1 P28845 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CES1 P23141 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6218720 0.92 ALDH1A1 (0.57) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL3528826 0.86 ALDH1A1 (0.65) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL10965695 0.85 ALDH1A1 (0.63) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL28359072 0.85 ALDH1A1 (0.51) ALDH1A1POLBCYP2C19MAPK1MAPT
SCHEMBL7717482 0.83 POLB (0.61) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL8974321 0.83 CNR1 (0.54) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL8926455 0.83 POLB (0.65) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL13172617 0.82 ALDH1A1 (0.60) ALDH1A1POLBCYP2C19RECQLNPSR1
SCHEMBL395369 0.82 ALDH1A1 (0.56) ALDH1A1POLBMAPTKMT2AL3MBTL1
SCHEMBL27890350 0.82 ALDH1A1 (0.60) ALDH1A1POLBCYP2C19RECQLNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US claimed
US-12630528-B2 Amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof LG CHEM, LTD. (KR) 2026-05-19 US disclosed
US-20250340528-A1 TARGETED PROTEIN DEGRADATION MONTE ROSA THERAPEUTICS AG (CH) 2025-11-06 US disclosed
US-20250243180-A1 TARGETED PROTEIN DEGRADATION MONTE ROSA THERAPEUTICS AG (CH) 2025-07-31 US disclosed
EP-4071147-B1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF LG CHEMICAL LTD (KR) 2025-03-26 EP disclosed
WO-2025024521-A1 SUBSTITUTED PIPERIDINEDIONES FOR TARGETED PROTEIN DEGRADATION MONTE ROSA THERAPEUTICS, INC. (US) 2025-01-30 WO disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
US-20230078941-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2023-03-16 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
US-6306203-B1 FOR USE IN INK JET PRINTING, INCLUDING PIEZOELECTRIC INK JET PRINTING AND ACOUSTIC INK JET PRINTING XEROX CORPORATION 2001-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 ALDH1A1 419/4885POLB 3023/4885CYP2C19 3251/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885POLB 687/4885CYP2C19 344/4885
US-20250243180-A1 TARGETED PROTEIN DEGRADATION NEK7, NEK1, RIPK1 ALDH1A1 4061/4885POLB 4399/4885CYP2C19 4814/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885POLB 648/4885CYP2C19 219/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885POLB 1312/4885CYP2C19 60/4885
US-20230078941-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF DGAT2, DGAT1, PLAAT2 ALDH1A1 480/4885POLB 4058/4885CYP2C19 582/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885POLB 591/4885CYP2C19 235/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ALDH1A1 178/4885POLB 1312/4885CYP2C19 60/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 ALDH1A1 455/4885POLB 3398/4885CYP2C19 4493/4885
US-12630528-B2 Amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof DGAT2, DGAT1, SOAT2 ALDH1A1 597/4885POLB 3837/4885CYP2C19 811/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ALDH1A1 192/4885POLB 591/4885CYP2C19 235/4885
US-20250340528-A1 TARGETED PROTEIN DEGRADATION NEK7, NEK1, RIPK1 ALDH1A1 4061/4885POLB 4399/4885CYP2C19 4814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.