SCHEMBL1115920

SCHEMBL1115920

O=Cc1ccc(-c2ncccn2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2E1 P05181 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2B6 P20813 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KDM4E B2RXH2 8/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ ALDH1A1 P00352 9/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 5/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ HPGD P15428 2/20 0.41
▸ NPC1 O15118 2/20 0.40

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
SCHEMBL624039 0.79 PIK3CA (0.55) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL6656195 0.78 ALDH1A1 (0.61) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL8412536 0.75 ALDH1A1 (0.59) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL1116275 0.72 KDM4E (0.51) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL21357672 0.72 CYP3A4 (0.64) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL29021883 0.72 ALDH1A1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL396870 0.72 ALDH1A1 (0.80) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL622653 0.71 KDM4E (0.66) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL14395269 0.71 CYP2E1 (0.49) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL12571323 0.71 CYP3A4 (0.57) CYP2E1CYP3A4CYP2D6CYP2C9CYP2B6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 — — CN disclosed
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
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
WO-2011015646-A2 FURAN-IMIDAZOLONE DERIVATIVES, FOR THE TREATMENT OF COGNITIVE, NEURODEGENERATIVE OR NEURONAL DISEASES OR DISORDERS NOSCIRA, S.A. (ES) 2011-02-10 — — WO disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP disclosed
EP-2281824-A1 Furan-imidazolone derivatives, for the treatment of cognitive, neurodegenerative or neuronal diseases or disorders NOSCIRA, S.A. (ES) 2011-02-09 — — EP 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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 — — CN 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 (3 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 CYP2E1 203/4885CYP3A4 374/4885CYP2D6 555/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CYP2E1 130/4885CYP3A4 618/4885CYP2D6 361/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 CYP2E1 187/4885CYP3A4 544/4885CYP2D6 500/4885

“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.

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