SCHEMBL891403

SCHEMBL891403

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CPT2 P23786 1/20 0.39
ACLY P53396 1/20 0.39
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL315984 1.00 HSPD1 (0.44) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL21055890 0.90 HSPD1 (0.39) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL10439610 0.86 HSPD1 (0.46) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL2557188 0.83 HSPD1 (0.64) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL5926319 0.76 HSPD1 (0.35) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL739847 0.75 HSPD1 (0.37) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL16467958 0.74 TSHR (0.40) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL20702119 0.74 CPT2 (0.35) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL31390775 0.74 ACLY (0.61) HSPD1BLMHSPE1MEN1HPGD
SCHEMBL9148021 0.74 CPT2 (0.40) HSPD1BLMHSPE1MEN1HPGD

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-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP disclosed
EP-3168215-A2 PROCESS FOR PREPARATION OF BARNIDIPINE USV Private Limited (IN) 2017-05-17 EP disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 HSPD1 1542/4885BLM 2059/4885HSPE1 811/4885

“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.