SCHEMBL4510430

SCHEMBL4510430

CN(C)c1nc2cc3nc(N(C)C)sc3cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.37
CYP3A4 P08684 1/20 0.36
RAD52 P43351 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4512720 0.93 HTT (0.63) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4512266 0.79 NPC1 (0.45) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4505156 0.79 HTT (0.50) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL16847224 0.78 HTT (0.67) HTTNPC1RAB9AALDH1A1MAPT
SCHEMBL13735830 0.77 HTT (0.47) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL5421955 0.77 MAPT (0.53) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL5536580 0.77 HTT (1.00) HTTNPC1RAB9AMAPTLMNA
SCHEMBL30123601 0.77 HTT (0.65) HTTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29970794 0.77 HTT (0.65) HTTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24782799 0.74 HTT (0.49) HTTNPC1RAB9ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US claimed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 HTT 1353/4885NPC1 93/4885RAB9A 696/4885

“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.