SCHEMBL13052228

SCHEMBL13052228

CCC(C)c1ccc(OC)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TAS1R3 Q7RTX0 3/20 0.43
TAS1R1 Q7RTX1 3/20 0.43
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL27021902 0.87 ALDH1A1 (0.51) ALDH1A1LMNAMAPTTP53ALOX12
SCHEMBL8298141 0.85 ALDH1A1 (0.60) ALDH1A1LMNAMAPTTP53ALOX12
SCHEMBL18713469 0.84 MAPT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL12646342 0.84 MEN1 (0.46) ALDH1A1LMNAMAPTALOX12MEN1
Bromide SCHEMBL9765241 0.83 CSNK2A1 (0.41) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL2670001 0.81 HDAC4 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL24015482 0.81 CYP3A4 (0.50) LMNAMAPTMEN1KMT2ATAS1R3
SCHEMBL15157517 0.81 MEN1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL20821026 0.80 PDE2A (0.42) ALDH1A1GAAUSP2PKMHPGD
SCHEMBL9963706 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTTP53ALOX12

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-10-27 US disclosed
US-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-07-02 US disclosed
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-01-24 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8530489-B2 5-cyano-4-(pyrrolo [2,3B] pyridine-3-yl)-pyrimidine derivatives useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010144647-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-16 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 (5 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-10336748-B2 Methyoxy-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof RORC, RORB, RORA ALDH1A1 484/4885LMNA 4143/4885MAPT 3937/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ALDH1A1 96/4885LMNA 3481/4885MAPT 4636/4885
US-10815197-B2 N-sulfonyl benzamides as voltage-gated sodium channel inhibitors SCN11A, SCN8A, NHERF1 ALDH1A1 1020/4885LMNA 2491/4885MAPT 4357/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 ALDH1A1 3982/4885LMNA 2490/4885MAPT 1722/4885
US-20190023654-A1 N-SULFONYL BENZAMIDE DERIVATIVE WITH HETEROCYCLIC SUBSTITUENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF SLC5A11, SLC6A11, SLC5A1 ALDH1A1 430/4885LMNA 2737/4885MAPT 4510/4885

“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.