SCHEMBL3272673

SCHEMBL3272673

O=C(/C=C/c1ccc2ccccc2c1)Nc1cc(Cl)ccc1-c1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
TRPA1 O75762 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 1/20 0.41
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3272677 1.00 EGFR (0.44) EGFRHCAR2TRPA1NPC1RAB9A
SCHEMBL3273782 0.92 EGFR (0.47) EGFRHCAR2TRPA1NPC1RAB9A
SCHEMBL3273777 0.92 EGFR (0.47) EGFRHCAR2TRPA1NPC1RAB9A
SCHEMBL3279047 0.89 HCAR2 (0.47) HCAR2TRPA1NPC1RAB9ASMN1; SMN2
SCHEMBL3279060 0.89 HCAR2 (0.47) HCAR2TRPA1NPC1RAB9ASMN1; SMN2
SCHEMBL3273349 0.87 TP53 (0.45) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL3273355 0.87 TP53 (0.45) EGFRTRPA1NPC1RAB9AMEN1
SCHEMBL3273681 0.82 PTPN1 (0.45) EGFRHCAR2TRPA1SMN1; SMN2MEN1
SCHEMBL3273683 0.82 PTPN1 (0.45) EGFRHCAR2TRPA1SMN1; SMN2MEN1
SCHEMBL3273798 0.82 POLB (0.39) EGFRTRPA1NPC1RAB9ASMN1; SMN2

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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
US-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 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 (2 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 EGFR 4679/4885HCAR2 1177/4885TRPA1 246/4885
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 EGFR 2980/4885HCAR2 180/4885TRPA1 2/4885

“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.