SCHEMBL4044633

SCHEMBL4044633

N#Cc1cc(Cl)ccc1OCc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.44
NOS2 P35228 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
XDH P47989 1/20 0.40
IDO1 P14902 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL6215774 0.86 MAPT (0.54) MRGPRX4NOS2NPC1RAB9AALDH1A1
SCHEMBL6214015 0.83 PTGDR2 (0.47) MRGPRX4NOS2NPC1RAB9AALDH1A1
SCHEMBL6213625 0.82 ALDH1A1 (0.48) MRGPRX4NOS2NPC1RAB9AALDH1A1
SCHEMBL14084323 0.82 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6214511 0.81 KMT2A (0.58) MRGPRX4NOS2NPC1RAB9AALDH1A1
SCHEMBL6215963 0.80 MAOB (0.60) MRGPRX4NOS2XDHSLC6A4
SCHEMBL29486044 0.78 CYP1A2 (0.47) MRGPRX4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22748806 0.78 CYP1A2 (0.47) MRGPRX4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4045643 0.77 CCR5 (0.56) MRGPRX4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6212985 0.76 XDH (0.60) MRGPRX4NPC1RAB9AXDHSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720613-A4 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL MYERS SQUIBB CO (US) 2009-05-06 EP disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1720613-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 Bristol-Myers Squibb Company (US) 2006-11-15 EP disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
WO-2005084296-A2 FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGERNASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 MRGPRX4 4458/4885NOS2 4574/4885NPC1 761/4885

“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.