SCHEMBL2995940

SCHEMBL2995940

CCOc1ccc2c(c1)c(C(=O)C(=O)NC1CCCC1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G2A P14555 1/20 0.37
F10 P00742 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
SCHEMBL2995045 0.99 RAB9A (0.41) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL3006433 0.98 LMNA (0.40) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL3003107 0.97 LMNA (0.41) LMNASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3002319 0.91 PLA2G2A (0.45) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL3004912 0.91 PLA2G2A (0.45) LMNAMAPTHPGDALDH1A1MEN1
SCHEMBL3000809 0.90 PLA2G2A (0.45) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL2992370 0.90 LMNA (0.41) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL3003522 0.90 EPHX2 (0.39) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL2995773 0.89 ALDH1A1 (0.46) RAB9ANPC1LMNASMN1; SMN2MAPT
SCHEMBL2998239 0.89 MAPT (0.39) RAB9ANPC1LMNASMN1; SMN2MAPT

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 4 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

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 2681/4885LMNA 3450/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 RAB9A 2477/4885NPC1 2508/4885LMNA 4089/4885

“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.