SCHEMBL4865756

SCHEMBL4865756

Cn1ccnc1C(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LPO P22079 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
FDPS P14324 1/20 0.37
HTT P42858 3/20 0.36
ALPL P05186 1/20 0.36
ALPG P10696 1/20 0.36

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
Bromide SCHEMBL6075738 0.98 NAMPT (0.41) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL15979655 0.84 NAMPT (0.44) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL12094827 0.82 NAMPT (0.43) NAMPTALDH1A1NPC1MAPTKMT2A
Hydrochloric Acid SCHEMBL1981157 0.81 NAMPT (0.42) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL2084421 0.78 NAMPT (0.40) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL12934353 0.78 NAMPT (0.40) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL5604635 0.77 TSHR (0.49) NAMPTALDH1A1MAPTKMT2ARAB9A
SCHEMBL24096159 0.77 NAMPT (0.39) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL15498575 0.77 NAMPT (0.42) NAMPTALDH1A1NPC1MAPTKMT2A
SCHEMBL10445299 0.77 GAA (0.42) NAMPTALDH1A1NPC1MAPTKMT2A

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
US-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 NAMPT 1078/4885ALDH1A1 204/4885NPC1 1779/4885

“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.