Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002834

SCHEMBL2002834

SCHEMBL2002834

O=C(c1nc(-c2ccnnc2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.37
▸ TBXA2R P21731 2/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ SMPD1 P17405 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PTGES2 Q9H7Z7 1/20 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
SCHEMBL2003702 0.90 POLB (0.40) DRD2TBXA2RALDH1A1KDM4EMEN1
SCHEMBL2002528 0.89 CYP1A2 (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2004990 0.89 MAPT (0.41) ALDH1A1KDM4EMEN1LMNAPOLB
SCHEMBL2001026 0.89 ALDH1A1 (0.44) DRD2TBXA2RALDH1A1KDM4EMEN1
SCHEMBL2000496 0.88 FAAH (0.42) DRD2TBXA2RALDH1A1MEN1LMNA
SCHEMBL2005657 0.86 MEN1 (0.44) ALDH1A1MEN1LMNAKMT2ACYP1A2
SCHEMBL2009204 0.86 ALDH1A1 (0.40) DRD2TBXA2RALDH1A1KDM4EMEN1
SCHEMBL2006544 0.84 LMNA (0.42) ALDH1A1KDM4EMEN1USP2LMNA
SCHEMBL2004129 0.84 ALDH1A1 (0.37) DRD2TBXA2RALDH1A1KDM4EMEN1
SCHEMBL2001509 0.83 FAAH (0.43) ALDH1A1KDM4EMEN1USP2LMNA

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 DRD2 188/4885TBXA2R 270/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT DRD2 122/4885TBXA2R 871/4885ALDH1A1 178/4885

“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.