SCHEMBL2999654

SCHEMBL2999654

O=C(O)c1cc2cc(O)cnc2n1Cc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
GPR35 Q9HC97 1/20 0.43
CCR2 P41597 7/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FEN1 P39748 1/20 0.42
ABCB11 O95342 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
NR4A2 P43354 2/20 0.41
CNR1 P21554 1/20 0.40
ALKBH1 Q13686 1/20 0.40
FABP3 P05413 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 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
SCHEMBL1100706 0.91 CCR2 (0.47) GPR35CCR2KDM4ECYP1A2CYP3A4
SCHEMBL2994597 0.88 CCR2 (0.41) F10GPR35CCR2KDM4ECYP1A2
SCHEMBL2995558 0.88 CCR2 (0.56) F10GPR35CCR2KDM4EL3MBTL1
SCHEMBL2993976 0.87 CCR2 (0.48) GPR35CCR2ABCB11CNR1
SCHEMBL3005519 0.86 CCR2 (0.60) F10GPR35CCR2KDM4EABCB11
SCHEMBL974497 0.85 CCR2 (0.46) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2815078 0.83 ATM (0.62) CCR2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL4384057 0.82 CCR2 (0.58) GPR35CCR2ABCB11
SCHEMBL3119623 0.82 CCR2 (0.55) GPR35CCR2KDM4ECYP1A2CYP3A4
SCHEMBL3001949 0.81 CCR2 (0.55) GPR35CCR2ABCB11

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 F10 3605/4885GPR35 206/4885CCR2 107/4885

“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.