SCHEMBL3006567

SCHEMBL3006567

Cc1ccc2c(c1)c(C(=O)C(=O)Nc1ccccn1)c(Cl)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
PTGER1 P34995 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3001251 0.94 NPC1 (0.44) FAAHRAB9ANPC1MITFTP53
SCHEMBL3007020 0.90 L3MBTL1 (0.44) RAB9ANPC1MITFTP53PKM
SCHEMBL3001437 0.90 FAAH (0.49) FAAHRAB9ATP53TSHRSMN1; SMN2
SCHEMBL3008709 0.90 LMNA (0.46) RAB9ANPC1MITFTP53PKM
SCHEMBL3011555 0.89 FAAH (0.44) FAAHRAB9ANPC1MITFTP53
SCHEMBL2999824 0.89 FAAH (0.58) FAAHRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL3009432 0.89 PLA2G2A (0.42) FAAHRAB9ANPC1MITFTP53
SCHEMBL2995899 0.89 FAAH (0.46) FAAHRAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL3003661 0.88 TP53 (0.41) FAAHRAB9ANPC1MITFTP53
SCHEMBL4392423 0.88 FAAH (0.46) FAAHRAB9ATP53SMN1; SMN2ALDH1A1

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 FAAH 109/4885RAB9A 3562/4885NPC1 2681/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885RAB9A 2477/4885NPC1 2508/4885

“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.