SCHEMBL397097

SCHEMBL397097

CC(C)(C)c1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GALR3 O60755 1/20 0.59
HTT P42858 1/20 0.59
GPR35 Q9HC97 3/20 0.56
ALDH1A1 P00352 7/20 0.52
TSHR P16473 4/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
NR1H4 Q96RI1 3/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
ERN1 O75460 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
ACHE P22303 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 3/20 0.45

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
SCHEMBL1530325 0.85 SMN1; SMN2 (0.65) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL11654599 0.82 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL449256 0.81 GPR35 (0.56) SMN1; SMN2MEN1KMT2AGPR35ALDH1A1
Dinitrophenylene SCHEMBL27683383 0.80 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL10176626 0.79 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL446475 0.79 TDP1 (0.55) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL16952985 0.79 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL447286 0.79 GPR35 (0.53) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL2031510 0.78 ALDH1A1 (0.52) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL395023 0.78 TSHR (0.59) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 US disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 CN disclosed
EP-4384493-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-06-19 EP disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 US disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 CN disclosed
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
EP-3752510-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM Vertex Pharmaceuticals Incorporated (US) 2020-12-23 EP disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM 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
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO 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 (7 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 SMN1; SMN2 1343/4885L3MBTL1 1984/4885MEN1 3261/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO SMN1; SMN2 2090/4885L3MBTL1 2156/4885MEN1 1464/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SMN1; SMN2 2424/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SMN1; SMN2 1788/4885L3MBTL1 2529/4885MEN1 664/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR SMN1; SMN2 2424/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 SMN1; SMN2 1788/4885L3MBTL1 2529/4885MEN1 664/4885
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 SMN1; SMN2 724/4885L3MBTL1 727/4885MEN1 2123/4885

“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.