SCHEMBL449613

SCHEMBL449613

CC#Cc1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.58
CYP1A2 P05177 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
KMT2A Q03164 1/20 0.58
HSP90AA1 P07900 1/20 0.47
NTSR1 P30989 1/20 0.47
ALOX15 P16050 3/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 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
SCHEMBL1922269 0.84 CYP3A4 (0.76) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL6364807 0.81 CYP1A2 (0.46) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL2808492 0.79 CYP3A4 (0.54) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL27265322 0.78 MMP2 (0.39) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL14269645 0.77 CYP3A4 (0.60) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL28392107 0.77 CYP3A4 (0.60) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL11651688 0.76 CYP3A4 (0.59) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL3978730 0.75 CYP3A4 (0.55) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL336717 0.75 CYP3A4 (0.52) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9
SCHEMBL1258715 0.75 CYP3A4 (0.52) CYP3A4CYP1A2ALDH1A1MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028568-B Synthesis method of 3-selenoindole compound promoted by visible light 南通大学 2023-12-19 CN disclosed
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS Kineta, Inc. 2023-08-03 US disclosed
CN-116283799-A Quinazoline methionine adenosyltransferase 2A inhibitors 南京正大天晴制药有限公司 2023-06-23 CN disclosed
US-20230183256-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS YUMANITY THERAPEUTICS, INC. 2023-06-15 US disclosed
CN-115028568-A Synthesis method of visible light promoted 3-selenoindole compound 南通大学 2022-09-09 CN disclosed
US-11339141-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
CN-113573708-A Polyvalent derivatives of emoxidine 阿尔萨泰克公司 2021-10-29 CN disclosed
US-10597493-B2 Polyimide precursor composition and method of preparing polyimide molded article FUJI XEROX CO., LTD. (JP) 2020-03-24 US disclosed
US-20180215873-A1 POLYIMIDE PRECURSOR COMPOSITION AND METHOD OF PREPARING POLYIMIDE MOLDED ARTICLE FUJI XEROX CO., LTD. (JP) 2018-08-02 US disclosed
US-20180118769-A1 PHOSPHORUS-CONTAINING HETEROCYCLES AND A METHOD FOR MAKING AND USING UNIVERSITY OF OREGON (US) 2018-05-03 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-6664408-B2 Contacting a polyoxometalate and an amine in the presence of a diimide THE CURATORS OF THE UNIVERSITY OF MISSOURI 2003-12-16 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2002-11-07 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (8 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-11339141-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS CYP3A4 4374/4885CYP1A2 4367/4885ALDH1A1 1538/4885
US-20020165405-A1 Process for preparing organically-substituted polyoxometalates TET2, ALKBH3, FTO CYP3A4 449/4885CYP1A2 1017/4885ALDH1A1 1029/4885
US-20230242557-A9 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSMB1, PSMC1 CYP3A4 4082/4885CYP1A2 4052/4885ALDH1A1 3439/4885
US-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CYP3A4 373/4885CYP1A2 166/4885ALDH1A1 389/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CYP3A4 207/4885CYP1A2 85/4885ALDH1A1 261/4885
US-20180118769-A1 PHOSPHORUS-CONTAINING HETEROCYCLES AND A METHOD FOR MAKING AND USING INPPL1, ALPL, PAICS CYP3A4 1307/4885CYP1A2 2514/4885ALDH1A1 2661/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CYP3A4 373/4885CYP1A2 166/4885ALDH1A1 389/4885
US-20230183256-A1 PROTEASOME ACTIVITY ENHANCING COMPOUNDS PSMG3, PSME3, PSMC4 CYP3A4 2972/4885CYP1A2 2811/4885ALDH1A1 3438/4885

“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.