SCHEMBL1837563

SCHEMBL1837563

CC(C)(C)C(=O)Nc1cc(F)ccc1-c1ncccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
P2RY1 P47900 3/20 0.40
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.38
TOP2A P11388 1/20 0.38
LMNA P02545 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL1358968 0.87 KDM4E (0.48) TRPV1ALDH1A1KDM4EALOX12RAB9A
SCHEMBL1842618 0.83 TRPV1 (0.41) TRPV1P2RY1ALDH1A1KDM4EALOX12
SCHEMBL1357821 0.81 ALDH1A1 (0.42) TRPV1ALDH1A1KDM4EALOX12RAB9A
SCHEMBL13823077 0.81 TRPV1 (0.41) TRPV1P2RY1ALDH1A1KDM4EALOX12
SCHEMBL1283401 0.81 RAB9A (0.43) HCRTR1HCRTR2ABL1KDM4ERAB9A
SCHEMBL14254883 0.75 HTT (0.55) ALDH1A1KDM4EALOX12RAB9AMAPT
SCHEMBL14254877 0.72 HTT (0.60) ALDH1A1RAB9AMAPTLMNAHTT
SCHEMBL19072688 0.71 MAPK14 (0.48) HCRTR1HCRTR2RAB9AMEN1KMT2A
SCHEMBL21624307 0.70 MAPT (0.51) ABL1ALDH1A1KDM4EALOX12MAPT
SCHEMBL1359332 0.70 TRPV1 (0.39) TRPV1ALDH1A1KDM4ERAB9AMAPT

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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 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 (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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI TRPV1 3853/4885HCRTR1 4401/4885HCRTR2 4826/4885

“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.