SCHEMBL5042498

SCHEMBL5042498

O=C(O)c1cc(Cl)ncc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ASPH Q12797 2/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 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
SCHEMBL16635391 0.86 NAPRT (0.42) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL979398 0.83 NAPRT (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL29773884 0.83 NAPRT (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL29411268 0.81 ALDH1A1 (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL1300053 0.81 ALDH1A1 (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL20855918 0.79 CA1 (0.48) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL533490 0.78 KMT2A (0.46) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL1998749 0.78 NAPRT (0.42) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL30964013 0.78 GABRP (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA
SCHEMBL18068216 0.78 GABRP (0.47) NAPRTHCAR2SIRT6SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 — — EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 — — US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 — — EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 — — WO disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 — — 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 NAPRT 1673/4885HCAR2 925/4885SIRT6 3129/4885

“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.

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