SCHEMBL899442

SCHEMBL899442

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ TSHR P16473 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.51
▸ GPBAR1 Q8TDU6 7/20 0.51
▸ TP53 P04637 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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 0.87 ALDH1A1 (0.58) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL2774527 0.84 MAPT (0.74) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL899864 0.81 HSD17B10 (0.52) MAPTALDH1A1HPGDPOLBHSD17B10
SCHEMBL2774761 0.80 MAPT (0.56) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL30605724 0.78 GPBAR1 (0.62) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL16697733 0.78 GPBAR1 (0.62) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL28806448 0.77 GPBAR1 (0.47) MAPTHPGDHSD17B10GPBAR1TP53
SCHEMBL16448972 0.76 GHSR (0.58) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL14691294 0.75 MAPT (0.59) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL20241269 0.74 GABRA1 (0.48) —

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 3 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
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 MAPT 4702/4885ALDH1A1 2107/4885HPGD 1877/4885

“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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