SCHEMBL5660904

SCHEMBL5660904

Cc1ccc(C(F)(F)C(=N)NO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MLYCD O95822 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
NFE2L2 Q16236 2/20 0.37
KEAP1 Q14145 1/20 0.37
HTT P42858 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
SCHEMBL23578199 0.83 HDAC1 (0.47) HDAC1HDAC6HDAC8CYP1A2
SCHEMBL23588235 0.82 CA1 (0.38) HDAC1HDAC6HDAC8MAPTCA2
SCHEMBL18603135 0.82 KCNN4 (0.41) HDAC1HDAC6HDAC7HDAC8CYP1A1
SCHEMBL23578541 0.80 TRPV1 (0.42) HDAC1HDAC6HDAC7HDAC8CA2
SCHEMBL18603163 0.80 HDAC7 (0.40) HDAC1HDAC6HDAC7HDAC8TSHR
SCHEMBL5659757 0.79 HDAC3 (0.44) HDAC1HDAC6HDAC7HDAC8TSHR
SCHEMBL23578534 0.77 PDE2A (0.41) HDAC1HDAC6HDAC8
SCHEMBL28842638 0.76 TRPV1 (0.44) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL23588052 0.75 CYP3A4 (0.39) HDAC1HDAC8MAPTNPC1RAB9A
SCHEMBL29272726 0.72 CA2 (0.45) HDAC1HDAC6HDAC7HDAC8CYP1A1

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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 HDAC1 197/4885HDAC6 444/4885HDAC7 2532/4885
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 HDAC1 1829/4885HDAC6 1265/4885HDAC7 2101/4885

“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.