Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002897

SCHEMBL2002897

SCHEMBL2002897

O=C(c1nc(-c2ccncn2)no1)c1c(Cl)n(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ VDR P11473 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL2003287 0.93 LMNA (0.34) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2006155 0.93 LMNA (0.40) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2007699 0.91 GRM5 (0.45) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2004749 0.90 L3MBTL1 (0.36) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2007450 0.90 LMNA (0.38) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2007239 0.90 TP53 (0.35) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2003774 0.89 CNR1 (0.38) LMNAMAPTALDH1A1CYP1A2CYP2D6
SCHEMBL2006584 0.89 ALDH1A1 (0.40) LMNAMAPTALDH1A1ALOX12CYP1A2
SCHEMBL2003124 0.88 PLA2G2A (0.37) LMNAMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2006152 0.88 LMNA (0.43) LMNAMAPTALDH1A1ALOX12CYP1A2

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 7 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-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

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 LMNA 3450/4885MAPT 997/4885ALDH1A1 1229/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885MAPT 3753/4885ALDH1A1 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.