SCHEMBL2999029

SCHEMBL2999029

COc1ccc2c(c1)c(Cc1ccc(Cl)cc1)c(C)n2CC(=O)c1nc2ncccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
RGS12 O14924 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
GNAI1 P63096 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
PPARG P37231 6/20 0.48
PLA2G2A P14555 4/20 0.47
PTGS2 P35354 3/20 0.44

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
SCHEMBL2004608 0.92 PTGS2 (0.49) PLA2G2APTGS2FAAHPLA2G1BDAGLA
SCHEMBL1999688 0.86 PTGDR2 (0.43) MEN1RGS12ALDH1A1LMNACYP1A2
SCHEMBL2006022 0.82 FAAH (0.41) FAAHPTGDR2DAGLA
SCHEMBL2005616 0.82 ALDH1A1 (0.51) MEN1RGS12ALDH1A1LMNACYP1A2
SCHEMBL3003472 0.82 PTGS2 (0.61) MEN1RGS12ALDH1A1LMNACYP1A2
SCHEMBL4380902 0.80 PTGS2 (0.63) MEN1LMNACYP1A2MAPTCYP2C9
SCHEMBL2000656 0.79 PTGS2 (0.51) MEN1ALDH1A1MAPTKMT2APLA2G2A
SCHEMBL12628702 0.76 LMNA (0.49) ALDH1A1LMNAMAPTPLA2G2AFAAH
SCHEMBL2011921 0.76 LMNA (0.42) ALDH1A1LMNAMAPTPKMFAAH
SCHEMBL12628278 0.75 PTGS2 (0.43) PLA2G2APTGS2PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US 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 (1 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 MEN1 3970/4885RGS12 1030/4885ALDH1A1 1229/4885

“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.