Sugi Predict

Sugi Predict / Compounds / SCHEMBL2003702

SCHEMBL2003702

SCHEMBL2003702

O=C(c1nc(-c2ccncc2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL2001026 0.93 ALDH1A1 (0.44) POLBDRD2LMNAMAPTCNR2
SCHEMBL2004345 0.90 SMPD1 (0.41) POLBLMNAMAPTSMPD1TP53
SCHEMBL2002834 0.90 DRD2 (0.37) POLBDRD2LMNACNR2SMPD1
SCHEMBL2002528 0.90 CYP1A2 (0.48) MAPTTP53ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2009204 0.88 ALDH1A1 (0.40) POLBDRD2LMNACNR2TBXA2R
SCHEMBL2002094 0.88 SMN1; SMN2 (0.43) POLBDRD2LMNAMAPTCNR2
SCHEMBL2006152 0.88 LMNA (0.43) POLBLMNAMAPTCNR2TP53
SCHEMBL2003476 0.88 SMPD1 (0.41) LMNAMAPTSMPD1TP53THRB
SCHEMBL2003774 0.87 CNR1 (0.38) POLBDRD2LMNAMAPTCNR2
SCHEMBL2003986 0.87 TP53 (0.47) POLBLMNAMAPTSMPD1TP53

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 9 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-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 POLB 4404/4885DRD2 188/4885LMNA 3450/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT POLB 3505/4885DRD2 122/4885LMNA 4536/4885

“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.