SCHEMBL19554284

SCHEMBL19554284

Fc1ccc2cc(Cl)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ BACE1 P56817 1/20 0.40
▸ F11 P03951 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ CA6 P23280 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ AHR P35869 4/20 0.38
▸ NR4A2 P43354 2/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL31463335 1.00 CYP2A6 (0.56) CYP2A6CYP1A2BACE1F11CA3
SCHEMBL30366405 0.83 CYP1A2 (0.77) CYP2A6CYP1A2BACE1CA3CA6
SCHEMBL865990 0.83 CYP2A6 (0.77) CYP2A6F11AHRNR4A2CMA1
SCHEMBL6562601 0.83 CYP1A2 (0.77) CYP2A6CYP1A2BACE1CA3CA6
SCHEMBL29644361 0.83 CYP2A6 (0.77) CYP2A6F11AHRNR4A2CMA1
Hydrochloric Acid SCHEMBL29200223 0.80 CYP2A6 (0.72) CYP2A6CYP1A2F11AHRNR4A2
SCHEMBL31665941 0.77 CYP2A6 (0.68) CYP2A6F11AHRNR4A2CMA1
SCHEMBL11303205 0.77 CYP1A2 (0.68) CYP2A6CYP1A2BACE1CA3CA6
SCHEMBL11302716 0.77 CYP2A6 (0.68) CYP2A6F11AHRNR4A2CMA1
SCHEMBL4288341 0.77 CYP2A6 (0.68) CYP2A6F11AHRNR4A2CMA1

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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor OSAKA UNIVERSITY (JP) 2020-10-06 — — US disclosed
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR OSAKA UNIVERSITY (JP) 2019-11-07 — — US disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 — — 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 (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-10793584-B2 Naphthobischalcogenadiazole derivative and production method therefor CYP24A1, CYP26B1, CYP21A2 CYP2A6 96/4885CYP1A2 115/4885BACE1 881/4885
US-20190337966-A1 NAPHTHOBISCHALCOGENADIAZOLE DERIVATIVE AND PRODUCTION METHOD THEREFOR CYP24A1, CYP26B1, CYP21A2 CYP2A6 96/4885CYP1A2 115/4885BACE1 881/4885

“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.

Send feedback