SCHEMBL25928627

SCHEMBL25928627

Cc1cc(C(C)(C)C)nc(Br)c1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11985870 0.81 HSP90AA1 (0.42) HSD17B10KDM4EHPGD
SCHEMBL25951828 0.79 KDM4E (0.32) HSD17B10KDM4EGAAHPGD
SCHEMBL16080761 0.77 KDM4E (0.39) HSD17B10KDM4EGAAHPGDTDP1
SCHEMBL11937170 0.76 HSD17B10 (0.37) HSD17B10KDM4EHPGD
SCHEMBL3176326 0.76 HSD17B10 (0.34) HSD17B10KDM4EGAAHPGD
SCHEMBL20457067 0.74 HRH4 (0.35) HSD17B10KDM4EGAAHPGD
SCHEMBL11985866 0.72 TDP1 (0.35) TDP1
SCHEMBL11985869 0.72 CYP1A2 (0.37) KDM4EGAATDP1
SCHEMBL8008974 0.71 TDP1 (0.36) KDM4ETDP1
SCHEMBL26860474 0.71 TDP1 (0.32) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (4 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH HSD17B10 2328/4885KDM4E 3629/4885GAA 2175/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HSD17B10 1063/4885KDM4E 3553/4885GAA 1549/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HSD17B10 1063/4885KDM4E 3553/4885GAA 1549/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH HSD17B10 2634/4885KDM4E 4570/4885GAA 1765/4885

“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.