SCHEMBL24251429

SCHEMBL24251429

COC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)ccc2c(-c3cc(F)cc(F)c3)c(C)nn12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ NTRK1 P04629 2/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ XIAP P98170 1/20 0.34
▸ TRPV1 Q8NER1 3/20 0.33
▸ CTSD P07339 2/20 0.33
▸ BACE1 P56817 2/20 0.33

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
SCHEMBL24251426 0.92 BRD4 (0.36) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251382 0.84 HSD17B2 (0.38) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251449 0.83 BRD4 (0.38) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251465 0.83 HSD17B2 (0.37) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251472 0.82 HSD17B2 (0.35) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251500 0.81 BRD4 (0.37) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL23355416 0.81 BRD4 (0.40) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251354 0.81 BRD4 (0.40) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251594 0.80 HSD17B2 (0.40) HSD17B2BRD4CREBBPNTRK1BDKRB1
SCHEMBL24251353 0.78 BRD4 (0.42) HSD17B2BRD4CREBBPNTRK1BDKRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048903-A1 Anthelminthic Heterocyclic Compounds BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2022-02-17 — — 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-20220048903-A1 Anthelminthic Heterocyclic Compounds SDHA, PAH, PIGS HSD17B2 909/4885BRD4 2177/4885CREBBP 4217/4885

“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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