Sugi Predict

Sugi Predict / Compounds / SCHEMBL2010095

SCHEMBL2010095

SCHEMBL2010095

O=C(c1nc(-c2cnccn2)no1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ NPSR1 Q6W5P4 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPY1R P25929 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 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
SCHEMBL2002980 0.91 GRM5 (0.45) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2010098 0.90 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL2003605 0.89 MAPT (0.42) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2005679 0.88 LMNA (0.41) MAPTALDH1A1NPSR1GAALMNA
SCHEMBL2005960 0.88 MAPT (0.46) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2004660 0.88 MAPT (0.43) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2008811 0.86 MAPT (0.45) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2003677 0.86 MAPT (0.43) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL1999349 0.86 MAPT (0.43) MAPTALDH1A1NPSR1KDM4EGAA
SCHEMBL2000893 0.85 MAPT (0.47) MAPTALDH1A1NPSR1KDM4EGAA

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 MAPT 997/4885ALDH1A1 1229/4885NPSR1 60/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPT 3753/4885ALDH1A1 178/4885NPSR1 114/4885

“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.