SCHEMBL2012509

SCHEMBL2012509

[Li]c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
GPR84 Q9NQS5 3/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
AHR P35869 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
IMPDH2 P12268 2/20 0.50
CYP2A6 P11509 2/20 0.50
IMPDH1 P20839 1/20 0.50
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL1202543 0.76 IMPDH2 (0.63) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL2953261 0.74 ATM (0.56) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL275615 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL399039 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL7495041 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL4417668 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL17376037 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL9775725 0.72 ATM (0.60) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL84022 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A
SCHEMBL154499 0.72 ATM (0.54) ATMGPR84MEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065908-B1 ((ALKYL AND ALCENYL 3-PIPERIDYL-4(-2-ETHYL)-3 INDOLES, AND THEIR USE AS PHARMACEUTICAL PREPARATIONS PHARMUKA LABORATOIRES (FR) 1984-12-05 EP claimed
JP-5301873-A None JP disclosed
JP-3261762-A None JP disclosed
JP-5222037-A None JP disclosed
CN-108383862-B Indeno [2,1-b ] indolyl rare earth metal complex and preparation method thereof 中国石油天然气股份有限公司 2021-03-30 CN disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
JP-H05301873-A SULFONATED DIARYLETHENE DERIVATIVE KANEBO LTD 1993-11-16 JP disclosed
JP-H05222037-A DIARYLETHENE DERIVATIVE KANEBO LTD 1993-08-31 JP disclosed
JP-H03261762-A DIARYL ETHENE COMPOUND KANEBO LTD 1991-11-21 JP 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 (4 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB ATM 4784/4885GPR84 112/4885MEN1 4117/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB ATM 4780/4885GPR84 112/4885MEN1 4261/4885
US-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 ATM 2656/4885GPR84 699/4885MEN1 3970/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ATM 4768/4885GPR84 1246/4885MEN1 2374/4885

“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.