SCHEMBL3149674

SCHEMBL3149674

COCc1ccc2cc(CBr)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
CA2 P00918 1/20 0.41
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2A6 P11509 1/20 0.38
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL3143263 0.94 PTPN1 (0.44) PTPN1LMNATP53CA2CYP1A2
SCHEMBL4194127 0.89 LMNA (0.50) PTPN1LMNATP53CA2CYP1A2
SCHEMBL29871774 0.89 LMNA (0.50) PTPN1LMNATP53CA2CYP1A2
SCHEMBL21675665 0.85 PTPN1 (0.49) PTPN1LMNATP53CA2CYP1A2
SCHEMBL27785143 0.84 PTPN1 (0.43) PTPN1LMNATP53CA2CYP1A2
SCHEMBL18716081 0.82 LMNA (0.49) PTPN1LMNATP53CA2CYP1A2
SCHEMBL1721014 0.82 CYP1A2 (0.44) LMNATP53CYP1A2KDM4ERAB9A
SCHEMBL29707612 0.82 CYP1A2 (0.44) LMNATP53CYP1A2KDM4ERAB9A
SCHEMBL3139555 0.82 PTPN1 (0.48) PTPN1LMNATP53CA2KDM4E
SCHEMBL23563378 0.81 HDAC1 (0.48) LMNAKDM4EHSD17B10HTR2CHTR7

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-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2010-04-01 US disclosed
EP-2098509-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2009-09-09 EP 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-20100081825-A1 1-NAPHTHYL ALKYLPIPERIDINE DERIVATIVE MCHR1, MCHR2, MC5R PTPN1 992/4885LMNA 2398/4885TP53 4619/4885

“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.