SCHEMBL4729800

SCHEMBL4729800

COc1cccc(C(=Nc2ccc(F)c(Cl)c2)NO)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.55
TDO2 P48775 2/20 0.48
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4726652 0.87 IDO1 (0.56) IDO1TDO2MEN1KMT2A
SCHEMBL4730877 0.86 IDO1 (0.62) IDO1TDO2MAPTNPC1RAB9A
SCHEMBL4729799 0.78 MAPT (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4729797 0.78 MAPT (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL5630163 0.76 IDO1 (0.56) IDO1TDO2
SCHEMBL4730332 0.74 IDO1 (0.63) IDO1TDO2
SCHEMBL4727698 0.72 IDO1 (0.57) IDO1TDO2NPC1RAB9ASMN1; SMN2
SCHEMBL2185086 0.72 IDO1 (0.49) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL4726666 0.72 IDO1 (0.60) IDO1TDO2
SCHEMBL4728381 0.72 IDO1 (0.61) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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 (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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT IDO1 1/4885TDO2 10/4885MAPT 2706/4885

“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.