SCHEMBL27101413

SCHEMBL27101413

CC(=O)c1cc(Br)c(C)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.48
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACP1 P24666 2/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.39
CYP2A6 P11509 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CRHR1 P34998 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 1/20 0.35

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
SCHEMBL12659328 0.89 NPC1 (0.45) CA5ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28024789 0.83 AKR1C3 (0.43) CA5ANPC1RAB9ASMN1; SMN2TTR
SCHEMBL27260102 0.82 CA5A (0.50) CA5ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1071876 0.80 TTR (0.62) CA5ASMN1; SMN2ACP1LMNATTR
SCHEMBL1191399 0.80 TTR (0.62) CA5ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28024881 0.80 CA5A (0.48) CA5ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31248956 0.79 CYP1A2 (0.47) SMN1; SMN2LMNAALDH1A1HPGDGAA
SCHEMBL24129342 0.78 ACP1 (0.39) NPC1RAB9ASMN1; SMN2ACP1TTR
SCHEMBL1003817 0.78 TSHR (0.53) SMN1; SMN2ACP1LMNATTRHSD17B10
SCHEMBL5104318 0.78 GSK3B (0.57) CA5ANPC1RAB9ASMN1; SMN2LMNA

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-20240067659-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND JW PHARMACEUTICAL CORPORATION (KR) 2024-02-29 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-20240067659-A1 METHOD FOR PREPARING HETEROCYCLIC DERIVATIVE COMPOUND, COMPOSITION CONTAINING SAME COMPOUND, AND HYDRATE OF SAME COMPOUND REN, NOD1, NLRP3 CA5A 194/4885NPC1 504/4885RAB9A 1588/4885

“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.