SCHEMBL3043083

SCHEMBL3043083

O=C(Br)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 4/20 0.47
RAB9A P51151 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
CXCL8 P10145 2/20 0.46
CASP3 P42574 2/20 0.45
CASP7 P55210 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK8 P45983 1/20 0.44
PPIA P62937 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4661911 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1LMNARAB9ATAAR1
SCHEMBL6969660 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1LMNARAB9ATAAR1
SCHEMBL9300171 0.83 AKR1B1 (0.48) MAPK1LMNARAB9AMEN1KMT2A
SCHEMBL8645 0.82 CXCL8 (0.65) ALDH1A1MAPK1LMNARAB9ATAAR1
SCHEMBL11183199 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1LMNARAB9ATAAR1
SCHEMBL29533621 0.82 CXCL8 (0.65) ALDH1A1MAPK1LMNARAB9ATAAR1
SCHEMBL11549937 0.81 TAAR1 (0.52) ALDH1A1TAAR1CASP3CASP7MEN1
SCHEMBL12731516 0.81 ALDH1A1 (0.46) ALDH1A1MAPK1LMNARAB9ATAAR1
Fluoride SCHEMBL11183201 0.80 CXCL8 (0.62) ALDH1A1MAPK1LMNARAB9ACXCL8
Hydrochloric Acid SCHEMBL1371542 0.80 CXCL8 (0.62) ALDH1A1MAPK1LMNARAB9ACXCL8

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
US-20100261908-A1 PROCESSES FOR THE PREPARATION OF PRASUGREL , AND ITS SALTS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2010-10-14 US disclosed
EP-2205611-A2 PROCESSES FOR THE PREPARATION OF PRASUGREL, AND ITS SALTS AND POLYMORPHS Dr. Reddy's Laboratories Ltd. (IN) 2010-07-14 EP disclosed
WO-2009062044-A2 PROCESSES FOR THE PREPARATION OF PRASUGREL, AND ITS SALTS AND POLYMORPHS DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 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-20100261908-A1 PROCESSES FOR THE PREPARATION OF PRASUGREL , AND ITS SALTS AND POLYMORPHS PFKP, CYP2C19, CYP2C9 ALDH1A1 1334/4885MAPK1 1793/4885LMNA 2726/4885

“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.