SCHEMBL24251393

SCHEMBL24251393

Cc1nn2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)ccc2c1-c1c(F)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ HSD17B2 P37059 1/20 0.36
▸ BDKRB1 P46663 3/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ TAS1R3 Q7RTX0 3/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.35
▸ TAS1R2 Q8TE23 3/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 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
SCHEMBL24251355 0.89 HSD17B2 (0.38) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL24251352 0.88 BRD4 (0.38) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL22281268 0.87 PDE2A (0.37) BRD4CREBBPNTRK1TAS1R3TAS1R1
SCHEMBL24251500 0.87 BRD4 (0.37) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL24251458 0.85 HSD17B2 (0.35) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL24251438 0.83 BRD4 (0.38) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL22281269 0.81 BRD4 (0.39) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL24251517 0.80 HSD17B2 (0.41) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL23355416 0.80 BRD4 (0.40) BRD4CREBBPHSD17B2BDKRB1NTRK1
SCHEMBL24251434 0.80 HSD17B2 (0.44) BRD4CREBBPHSD17B2BDKRB1NTRK1

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 BRD4 2177/4885CREBBP 4217/4885HSD17B2 909/4885

“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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