Sugi Predict

Sugi Predict / Compounds / SCHEMBL2000496

SCHEMBL2000496

SCHEMBL2000496

Cc1ccc2c(c1)c(C(=O)c1nc(-c3ccnnc3)no1)c(Cl)n2Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMPD1 P17405 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL2003986 0.91 TP53 (0.47) FAAHKMT2AMEN1HTTTP53
SCHEMBL2004777 0.90 TP53 (0.37) FAAHKMT2AMEN1HTTTP53
SCHEMBL2005657 0.90 MEN1 (0.44) KMT2AMEN1TP53SMPD1MAPT
SCHEMBL2004796 0.89 CYP1A2 (0.45) FAAHKMT2AMEN1HTTTP53
SCHEMBL2002834 0.88 DRD2 (0.37) KMT2AMEN1SMPD1CYP2C9SMN1; SMN2
SCHEMBL2000134 0.88 KMT2A (0.42) FAAHKMT2AMEN1HTTTP53
SCHEMBL2004495 0.86 FAAH (0.46) FAAHKMT2AMEN1HTTTP53
SCHEMBL2006556 0.85 FAAH (0.42) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2001905 0.84 ALDH1A1 (0.49) FAAHKMT2AMEN1HTTMAPT
SCHEMBL2005504 0.84 FAAH (0.43) FAAHKMT2AMEN1HTTTP53

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 10 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 109/4885KMT2A 2233/4885MEN1 3970/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885KMT2A 2169/4885MEN1 2374/4885

“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.