SCHEMBL25928622

SCHEMBL25928622

COc1cc(C(C)(C)C)nc(Br)c1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
SQOR Q9Y6N5 1/20 0.35
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PGK1 P00558 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.30
PRNP P04156 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
AXL P30530 1/20 0.30

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
SCHEMBL11937170 0.80 HSD17B10 (0.37) HSD17B10SQORALDH1A1KDM4EL3MBTL1
SCHEMBL25951828 0.76 KDM4E (0.32) HSD17B10KDM4EHPGD
SCHEMBL25946321 0.71 CYP3A4 (0.34) ALDH1A1PGK1CYP3A4POLBPRNP
SCHEMBL29091455 0.69 HSD17B10 (0.37) HSD17B10SQORALDH1A1KDM4EL3MBTL1
SCHEMBL25928216 0.69 ALOX5AP (0.33) HRH4
SCHEMBL22621573 0.66 CYP3A4 (0.38) ALDH1A1KDM4ELMNATP53CYP3A4
SCHEMBL2388645 0.65 NQO2 (0.46) ALDH1A1L3MBTL1ALOX15POLBPRNP
SCHEMBL19641731 0.65 PDGFRB (0.49) LMNAMAPT
SCHEMBL22624090 0.65
SCHEMBL31525271 0.64 NR1I2 (0.36) SQORALDH1A1KDM4EL3MBTL1LMNA

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-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-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 (3 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 2328/4885SQOR 2404/4885ALDH1A1 3904/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH HSD17B10 1063/4885SQOR 1136/4885ALDH1A1 2338/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HSD17B10 1063/4885SQOR 1136/4885ALDH1A1 2338/4885

“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.