SCHEMBL899864

SCHEMBL899864

O=C(O)c1c(-c2ccccc2Cl)noc1C(F)F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.52
▸ GPBAR1 Q8TDU6 7/20 0.50
▸ LMNA P02545 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL899822 0.84 ALDH1A1 (0.58) HSD17B10GPBAR1LMNAL3MBTL1MAPT
SCHEMBL899442 0.81 MAPT (0.55) HSD17B10GPBAR1LMNACYP2C19MAPT
SCHEMBL13734244 0.81 HSD17B10 (0.59) HSD17B10GPBAR1LMNAL3MBTL1CYP2C19
SCHEMBL28806449 0.80 NR1H4 (0.55) HSD17B10GPBAR1LMNAL3MBTL1CYP2C19
SCHEMBL12694218 0.79 EPAS1 (0.60) LMNAHTTEPAS1KMT2AALDH1A1
SCHEMBL459354 0.78 HSD17B10 (0.76) HSD17B10GPBAR1LMNAL3MBTL1CYP2C19
SCHEMBL30395456 0.78 HSD17B10 (0.76) HSD17B10GPBAR1LMNAL3MBTL1CYP2C19
Hydrochloric Acid SCHEMBL11554371 0.77 HSD17B10 (0.74) HSD17B10GPBAR1LMNAL3MBTL1CYP2C19
SCHEMBL12691869 0.77 EPAS1 (0.58) GPBAR1LMNAHTTEPAS1KMT2A
SCHEMBL28806448 0.76 GPBAR1 (0.47) HSD17B10GPBAR1CYP2C19MAPTTP53

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-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 — — EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 — — US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 — — 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A HSD17B10 2876/4885GPBAR1 2916/4885LMNA 2527/4885

“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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