SCHEMBL29318705

SCHEMBL29318705

O=C(NCC1CCC(c2nc(-c3ccc(C(F)(F)F)cn3)no2)CC1)c1cc(F)c(O)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ CNR2 P34972 10/20 0.40
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ SMO Q99835 1/20 0.38
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CETP P11597 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
SCHEMBL27230840 1.00 MCHR1 (0.42) MCHR1HDAC4HDAC6EPHX2KCNH2
SCHEMBL27213901 1.00 MCHR1 (0.42) MCHR1HDAC4HDAC6EPHX2KCNH2
SCHEMBL27230795 0.90 HDAC4 (0.46) MCHR1HDAC4HDAC6EPHX2KCNH2
SCHEMBL27213743 0.90 HDAC4 (0.46) MCHR1HDAC4HDAC6EPHX2KCNH2
SCHEMBL27394713 0.88 CNR2 (0.41) HDAC4HDAC6CNR2CYP1A2CYP2C9
SCHEMBL29318607 0.88 CNR2 (0.41) HDAC4HDAC6CNR2CYP1A2CYP2C9
SCHEMBL30892975 0.88 CNR2 (0.41) HDAC4HDAC6CNR2CYP1A2CYP2C9
SCHEMBL30893003 0.84 SMO (0.40) MCHR1HDAC4HDAC6CYP1A2CYP2C9
SCHEMBL27395499 0.84 SMO (0.40) MCHR1HDAC4HDAC6CYP1A2CYP2C9
SCHEMBL27232597 0.84 SMO (0.40) MCHR1HDAC4HDAC6CYP1A2CYP2C9

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 — — 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 MCHR1 2949/4885HDAC4 450/4885HDAC6 888/4885

“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.

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