SCHEMBL2996282

SCHEMBL2996282

O=C(O)c1cc2nc(O)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.45
GPR35 Q9HC97 1/20 0.40
TSHR P16473 2/20 0.39
NFKB1 P19838 2/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMAD3 P84022 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
SRD5A2 P31213 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
PIN1 Q13526 2/20 0.34
CYP2C19 P33261 2/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL3004525 0.81 DAO (0.44) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL2997222 0.77 RAB9A (0.45) ALOX15SMN1; SMN2FGFR1FGFR2HSD17B10
SCHEMBL3001345 0.74 DAO (0.50) DAOTSHRNFKB1ALOX15BLM
SCHEMBL31296111 0.74 SMAD3 (0.50) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL2106960 0.69 F7 (0.56) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL297192 0.69 KDM4E (0.51) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL16592793 0.69 TSHR (0.46) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL15738800 0.69 DAO (0.45) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL13625358 0.69 PIN1 (0.51) DAOGPR35TSHRNFKB1ALOX15
SCHEMBL27554477 0.68 SMAD3 (0.47) DAOGPR35TSHRNFKB1ALOX15

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 5 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 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 (1 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 DAO 1097/4885GPR35 206/4885TSHR 3577/4885

“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.