SCHEMBL2995045

SCHEMBL2995045

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CCCCC1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
F10 P00742 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL2995940 0.99 RAB9A (0.40) RAB9ANPC1MAPTHPGDLMNA
SCHEMBL3006433 0.97 LMNA (0.40) RAB9ANPC1MAPTHPGDLMNA
SCHEMBL3003107 0.96 LMNA (0.41) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL3004912 0.92 PLA2G2A (0.45) MAPTHPGDLMNAALDH1A1MEN1
SCHEMBL3002319 0.91 PLA2G2A (0.45) MAPTHPGDLMNAALDH1A1MEN1
SCHEMBL3005102 0.90 LMNA (0.43) RAB9ANPC1MAPTHPGDLMNA
SCHEMBL2998239 0.90 MAPT (0.39) RAB9ANPC1MAPTHPGDLMNA
SCHEMBL2998712 0.90 ALDH1A1 (0.47) RAB9AMAPTHPGDLMNAALDH1A1
SCHEMBL3000809 0.89 PLA2G2A (0.45) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL2992370 0.89 LMNA (0.41) RAB9ANPC1MAPTHPGDLMNA

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 6 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (2 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 RAB9A 3562/4885NPC1 2681/4885MAPT 997/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 RAB9A 2477/4885NPC1 2508/4885MAPT 2737/4885

“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.