SCHEMBL16174367

SCHEMBL16174367

Cc1ccccc1-c1cc(-c2nnn[nH]2)cc(-c2ccccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
GAA P10253 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 5/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
GRIA1 P42261 1/20 0.37
CACNG8 Q8WXS5 1/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 4/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL9161616 0.88 TRPA1 (0.43) TRPA1GAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL3652857 0.88 NR1H4 (0.43) TRPA1GAARAB9ASMN1; SMN2NPC1
SCHEMBL16174501 0.86 P2RX7 (0.35) TRPA1GAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL918324 0.84 DCUN1D1 (0.47) TRPA1GAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL16174504 0.82 CYP1A2 (0.36) SMN1; SMN2MAPTKDM4E
SCHEMBL27761643 0.81 GAA (0.44) TRPA1GAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL16174509 0.80 CYP1A2 (0.34) DCUN1D1RAB9ASMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL27741149 0.79 GAA (0.43) TRPA1GAADCUN1D1RAB9ASMN1; SMN2
SCHEMBL17751101 0.78 NPC1 (0.38) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL16174505 0.77 METAP2 (0.38) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012655-B2 Antimicrobial/adjuvant compounds and methods Denouamed, Inc. (CA) 2015-04-21 US disclosed
US-20140309266-A1 ANTIMICROBIAL/ADJUVANT COMPOUNDS AND METHODS DENOVAMED INC. (CA) 2014-10-16 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-20140309266-A1 ANTIMICROBIAL/ADJUVANT COMPOUNDS AND METHODS S100A11, IFNG, MYD88 TRPA1 4014/4885GAA 2175/4885DCUN1D1 2158/4885

“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.