Sugi Predict

Sugi Predict / Compounds / SCHEMBL2010098

SCHEMBL2010098

SCHEMBL2010098

Cc1ccc2c(c1)c(C(=O)c1nc(-c3cnccn3)no1)cn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 4/20 0.35
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ATM Q13315 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35

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
SCHEMBL2005679 0.91 LMNA (0.41) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL2006661 0.90 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL2010095 0.90 MAPT (0.42) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL2004804 0.89 MAPT (0.39) ALDH1A1MAPTTP53KMT2ALMNA
SCHEMBL2003646 0.88 MAPT (0.42) ALDH1A1MAPTTP53KMT2ALMNA
SCHEMBL2001881 0.88 GSK3B (0.42) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL2011508 0.87 TP53 (0.47) MAPTNPC1RAB9ATP53LMNA
SCHEMBL2007457 0.87 PIEZO1 (0.40) ALDH1A1MAPTTP53LMNAGAA
SCHEMBL2005397 0.86 MAPT (0.39) ALDH1A1MAPTTP53KMT2ALMNA
SCHEMBL2006646 0.85 MAPT (0.40) ALDH1A1MAPTTP53KMT2ALMNA

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 ALDH1A1 1229/4885MAPT 997/4885NPC1 2681/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ALDH1A1 178/4885MAPT 3753/4885NPC1 2525/4885

“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.