SCHEMBL8499168

SCHEMBL8499168

Cc1cc(Br)ccc1[N+]#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
PYCR1 P32322 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
BRD4 O60885 1/20 0.30
BRD1 O95696 1/20 0.30
BRPF1 P55201 1/20 0.30
BRPF3 Q9ULD4 1/20 0.30

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
Hydrochloric Acid SCHEMBL8497331 0.98 ALDH1A1 (0.33) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL6587771 0.92 ALDH1A1 (0.31) ALDH1A1MAPK1CA1CA2
SCHEMBL5416310 0.82 ALDH1A1 (0.35) ALDH1A1MAPK1RAPGEF4ALOX15CYP2A6
Hydrochloric Acid SCHEMBL8497326 0.80 ALDH1A1 (0.33) ALDH1A1MAPK1RAPGEF4KMT2A
SCHEMBL324210 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL29955874 0.77 ALDH1A1 (0.35) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL12156965 0.76 TDP1 (0.42) ALDH1A1NPSR1RAPGEF4ALOX15MEN1
Hydrochloric Acid SCHEMBL11711448 0.76 ALDH1A1 (0.33) ALDH1A1MAPK1SIGMAR1PYCR1NPSR1
SCHEMBL1363997 0.75 ALDH1A1 (0.30) ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9445170 0.74 ALDH1A1 (0.41) ALDH1A1

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-0599270-B1 Method of detecting phosphatase AISIN SEIKI (JP) 1999-05-12 EP claimed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 ALDH1A1 2165/4885MAPK1 3628/4885SIGMAR1 85/4885

“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.