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SCHEMBL2995015

SCHEMBL2995015

Cc1nc(NC(=O)C(=O)c2c(Cl)n(Cc3ccc(Cl)cc3)c3ccccc23)sc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FFAR2 O15552 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ PTGES2 Q9H7Z7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL3000652 0.92 FAAH (0.48) RAB9APOLBSMN1; SMN2FFAR2NOD1
SCHEMBL3005558 0.89 FAAH (0.53) RAB9APOLBSMN1; SMN2FFAR2MAPT
SCHEMBL4095674 0.88 LMNA (0.43) RAB9APOLBSMN1; SMN2FFAR2ALDH1A1
SCHEMBL3001571 0.86 FAAH (0.48) RAB9APOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL3007491 0.81 FAAH (0.62) RAB9APOLBSMN1; SMN2FFAR2ALDH1A1
SCHEMBL3006971 0.81 LMNA (0.44) RAB9APOLBSMN1; SMN2FFAR2ALDH1A1
SCHEMBL4088403 0.81 TUBB4A (0.63) RAB9APOLBSMN1; SMN2FFAR2KDM4E
SCHEMBL3006486 0.80 TUBB4A (0.53) POLBKDM4EALDH1A1MAPTUSP2
SCHEMBL3004943 0.79 TUBB4A (0.52) POLBPTGES2KDM4EALDH1A1MAPT
SCHEMBL2992915 0.79 TUBB4A (0.47) POLBNOD1KDM4EALDH1A1NOD2

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 11 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-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US 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
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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US 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 3562/4885POLB 4404/4885SMN1; SMN2 3581/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 RAB9A 2477/4885POLB 4121/4885SMN1; SMN2 4055/4885

“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.