SCHEMBL4904552

SCHEMBL4904552

Cc1ccc2[nH]c(C)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A2 P05177 5/20 0.43
AXL P30530 1/20 0.41
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL26262624 0.80 CYP1A2 (0.38) CYP1A2NOS1NOS2KDM4ELMNA
SCHEMBL29594892 0.79 KEAP1 (0.41) KEAP1CYP2A6CYP1A2AXLKDM4E
SCHEMBL22774166 0.79 KEAP1 (0.41) KEAP1CYP2A6CYP1A2AXLKDM4E
SCHEMBL15431204 0.79 CYP2A6 (0.50) KEAP1CYP2A6CYP1A2AXLNOS1
SCHEMBL19212554 0.79 KEAP1 (0.41) KEAP1CYP2A6CYP1A2AXLKDM4E
SCHEMBL4008095 0.79 KEAP1 (0.41) KEAP1CYP2A6CYP1A2AXLKDM4E
SCHEMBL15045466 0.79 ALDH1A1 (0.42) KEAP1CYP2A6CYP1A2AXLKDM4E
Hydrochloric Acid SCHEMBL21873980 0.78 CYP2A6 (0.48) KEAP1CYP2A6CYP1A2AXLNOS1
Hydrochloric Acid SCHEMBL31715333 0.78 CYP2A6 (0.48) KEAP1CYP2A6CYP1A2AXLNOS1
SCHEMBL12965833 0.77 FABP6 (0.45) KEAP1CYP2A6CYP1A2AXLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
CN-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 CN disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-04-25 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
WO-2011136385-A1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-03 WO disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1699781-A1 1-ACETIC ACID-INDOLE, -INDAZOLE AND -BENZIMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005054232-A1 1-ACETIC ACID-INDOLE, -INDAZOLE AND-BENZIMIDAZOLE DERIVATIVES USFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2005-06-16 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KEAP1 89/4885CYP2A6 3139/4885CYP1A2 2432/4885
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT KEAP1 785/4885CYP2A6 1218/4885CYP1A2 134/4885
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 KEAP1 1683/4885CYP2A6 267/4885CYP1A2 64/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB KEAP1 91/4885CYP2A6 1795/4885CYP1A2 1106/4885
US-10717734-B2 Indole and azaindole haloallylamine derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT KEAP1 836/4885CYP2A6 1115/4885CYP1A2 131/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KEAP1 785/4885CYP2A6 1218/4885CYP1A2 134/4885
US-20190119269-A1 INDOLE AND AZAINDOLE HALOALLYLAMINE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT KEAP1 836/4885CYP2A6 1115/4885CYP1A2 131/4885

“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.