SCHEMBL29318607

SCHEMBL29318607

O=C(NC[C@H]1CC[C@H](c2nc(-c3cnc(C(F)(F)F)cn3)no2)CC1)c1cc(F)c(O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.41
▸ HDAC4 P56524 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ SMO Q99835 1/20 0.35

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
SCHEMBL27394713 1.00 CNR2 (0.41) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL30892975 1.00 CNR2 (0.41) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL29318597 0.90 CNR2 (0.43) CNR2HDAC4HDAC6CYP2C9
SCHEMBL30892938 0.90 CNR2 (0.43) CNR2HDAC4HDAC6CYP2C9
SCHEMBL29318609 0.89 CNR2 (0.41) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL30892989 0.89 CNR2 (0.41) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL27394716 0.89 CNR2 (0.41) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL29318705 0.88 MCHR1 (0.42) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL27230840 0.88 MCHR1 (0.42) CNR2HDAC4HDAC6CYP1A2CYP2D6
SCHEMBL27213901 0.88 MCHR1 (0.42) CNR2HDAC4HDAC6CYP1A2CYP2D6

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-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
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 CNR2 2942/4885HDAC4 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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