SCHEMBL5234587

SCHEMBL5234587

C/C(=C(\C#N)C(N)=S)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 2/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP6 P55212 1/20 0.39

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
SCHEMBL5234593 1.00 MAPT (0.45) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL5234604 1.00 MAPT (0.45) MAPTALDH1A1LMNAHPGDALOX15
SCHEMBL5233699 0.88 MAPT (0.52) MAPTALDH1A1LMNAHPGDPOLB
SCHEMBL5233711 0.88 MAPT (0.52) MAPTALDH1A1LMNAHPGDPOLB
SCHEMBL5234909 0.88 ALDH1A1 (0.48) MAPTALDH1A1LMNAUSP2POLB
SCHEMBL5233716 0.88 MAPT (0.52) MAPTALDH1A1LMNAHPGDPOLB
SCHEMBL5234896 0.88 ALDH1A1 (0.48) MAPTALDH1A1LMNAUSP2POLB
SCHEMBL5234904 0.88 ALDH1A1 (0.48) MAPTALDH1A1LMNAUSP2POLB
SCHEMBL5229423 0.88 PHGDH (0.48) MAPTALDH1A1LMNANPC1USP2
SCHEMBL5229409 0.88 PHGDH (0.48) MAPTALDH1A1LMNANPC1USP2

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-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 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-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 MAPT 4452/4885ALDH1A1 1073/4885LMNA 4549/4885

“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.