SCHEMBL4045975

SCHEMBL4045975

CCCCNC(=O)c1ccc2c(c1)C=Cc1cc(Cl)ccc1N(C(C)=O)C2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.56
NAMPT P43490 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CXCR3 P49682 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
ALOX15 P16050 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
SCHEMBL4045974 1.00 HSD17B3 (0.56) HSD17B3NAMPTSMN1; SMN2CNR2CNR1
SCHEMBL4803261 0.90 HSD17B3 (0.58) HSD17B3NAMPTCNR2CNR1HDAC1
SCHEMBL4803248 0.90 HSD17B3 (0.58) HSD17B3NAMPTCNR2CNR1HDAC1
SCHEMBL4796728 0.88 HSD17B3 (0.56) HSD17B3NAMPTSMN1; SMN2ALDH1A1
SCHEMBL4796722 0.88 HSD17B3 (0.56) HSD17B3NAMPTSMN1; SMN2ALDH1A1
SCHEMBL14084533 0.85 HSD17B3 (0.63) HSD17B3HDAC8ALDH1A1L3MBTL1LMNA
SCHEMBL4799403 0.83 HSD17B3 (0.57) HSD17B3NAMPTTMEM97SIGMAR1
SCHEMBL14084504 0.82 HSD17B3 (0.56) HSD17B3SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL4798056 0.81 HSD17B3 (0.70) HSD17B3
SCHEMBL4798072 0.81 HSD17B3 (0.70) HSD17B3

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
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
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 HSD17B3 1/4885NAMPT 2136/4885SMN1; SMN2 4127/4885

“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.