SCHEMBL4923692

SCHEMBL4923692

N#Cc1cccc2c1Cc1cccc(C#N)c1C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.53
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOTUM Q6P988 2/20 0.37
PNMT P11086 1/20 0.37
MCL1 Q07820 1/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL28771343 0.98 TRPA1 (0.51) TRPA1TSHRCA1CA2KDM4E
Hydrochloric Acid SCHEMBL3574165 0.95 TRPA1 (0.53) TRPA1TSHRCA1CA2KDM4E
SCHEMBL30253482 0.85 CYP1A2 (0.48) TRPA1TSHRCA1CA2KDM4E
SCHEMBL23856748 0.85 CYP1A2 (0.48) TRPA1TSHRCA1CA2KDM4E
SCHEMBL30940563 0.81 TRPA1 (0.50) TRPA1TSHRCA1CA2KDM4E
SCHEMBL1033059 0.81 TRPA1 (0.50) TRPA1TSHRCA1CA2KDM4E
SCHEMBL28730767 0.80 TRPA1 (0.40) TRPA1TSHRCA1CA2KDM4E
SCHEMBL17954603 0.79 DRD2 (0.46) TRPA1KDM4EALDH1A1NOTUMDRD2
SCHEMBL819087 0.78 KCNH2 (0.46) TRPA1TSHRCA1CA2KDM4E
SCHEMBL30173200 0.78 NOTUM (0.44) TRPA1TSHRCA1CA2KDM4E

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-8242162-B2 Sensor group attachec to imide of aromatictetracarboxylic dianhydride; aromatic core may be anthracene, phenanthrene, perylene, or benzo[e]pyrene; sensor groups include crown ethers, aryl amines, porphyrins, and phenylboronic acid; detecting nitroaromatic explosives and chemical warfare agents OHIO AEROSPACE INSTITUTE (US) 2012-08-14 US disclosed
US-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE OHIO AEROSPACE INSTITUTE (US) 2008-10-02 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-20080242870-A1 FLUORESCENT AROMATIC SENSORS AND THEIR METHODS OF USE AHR, PAH, ALK TRPA1 13/4885TSHR 2244/4885CA1 4528/4885

“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.