SCHEMBL3448741

SCHEMBL3448741

O=C(O)N1CCCC[C@H]1c1nc(-c2ccc(Br)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CPT1A P50416 9/20 0.38
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
CPT2 P23786 4/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CPT1B Q92523 2/20 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
SCHEMBL3781488 0.96 HCRTR1 (0.39) TP53GAAHCRTR1HCRTR2MEN1
SCHEMBL27855003 0.96 HCRTR1 (0.39) TP53GAAHCRTR1HCRTR2MEN1
SCHEMBL2454437 0.95 HCRTR1 (0.38) HCRTR1HCRTR2MEN1NPC1RAB9A
SCHEMBL6167855 0.89 CPT1A (0.43) CPT1ACPT2CPT1B
SCHEMBL6169351 0.88 TRPV1 (0.43) CPT1ACPT2NPC1RAB9ASMN1; SMN2
SCHEMBL2363127 0.88 HCRTR1 (0.41) CPT1AHCRTR1HCRTR2CPT2NPC1
SCHEMBL13223831 0.86 HCRTR1 (0.38) TP53GAAHCRTR1HCRTR2MEN1
SCHEMBL18815729 0.86 CPT1A (0.40) CPT1AHCRTR1HCRTR2CPT2CPT1B
SCHEMBL13223861 0.85 KMT2A (0.43) TP53GAAHCRTR1HCRTR2MEN1
SCHEMBL16499066 0.84 GRM5 (0.36) CPT1AHCRTR1HCRTR2CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 US disclosed
WO-2010094977-A1 NOVEL BIPHENYL COMPOUNDS USEFUL FOR THE TREATMENT OF HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 WO 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 TP53 1159/4885GAA 2783/4885CPT1A 229/4885

“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.