SCHEMBL25928567

SCHEMBL25928567

CCCCc1cc(Br)nc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPK1 P28482 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HMGCR P04035 5/20 0.36
PTGS2 P35354 4/20 0.35
CYP3A4 P08684 1/20 0.35
SKP2 Q13309 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PSMB5 P28074 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL25928579 0.89 HMGCR (0.38) HMGCR
SCHEMBL25928580 0.82 HMGCR (0.38) HMGCR
SCHEMBL25928587 0.78 HPGD (0.41) RAB9AHPGDHMGCRPTGS2TSHR
SCHEMBL25928569 0.78 HMGCR (0.37) HMGCR
SCHEMBL24156678 0.77 RAB9A (0.46) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL19304377 0.76 PTGS2 (0.53) PTGS2CYP3A4TP53
SCHEMBL22166129 0.76 PTGS2 (0.53) PTGS2CYP3A4TP53
SCHEMBL3442866 0.76 PTGS2 (0.53) PTGS2CYP3A4TP53
SCHEMBL25946249 0.74 HSD17B10 (0.36) HMGCRAR
SCHEMBL25938655 0.74 HMGCR (0.45) HMGCR

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 8 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-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-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
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 NPC1 245/4885RAB9A 2435/4885MAPK1 279/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH NPC1 488/4885RAB9A 2087/4885MAPK1 538/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH NPC1 488/4885RAB9A 2087/4885MAPK1 538/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH NPC1 221/4885RAB9A 2855/4885MAPK1 851/4885

“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.