SCHEMBL4512720

SCHEMBL4512720

CN(C)c1nc2cc3sc(N(C)C)nc3cc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.42
HTR2C P28335 1/20 0.38
CYP3A4 P08684 1/20 0.38
RAD52 P43351 1/20 0.37
OPRM1 P35372 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
SCHEMBL4510430 0.93 HTT (0.61) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL4505156 0.85 HTT (0.50) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL16847224 0.80 HTT (0.67) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL13735830 0.78 HTT (0.47) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL30123601 0.78 HTT (0.65) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL5536580 0.78 HTT (1.00) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL29970794 0.78 HTT (0.65) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL5421955 0.78 MAPT (0.53) HTTLMNACYP1A2CYP2D6NPC1
SCHEMBL24782799 0.76 HTT (0.49) HTTLMNACYP1A2CYP2D6NPC1
Hydrochloric Acid SCHEMBL28519023 0.74 RAB9A (0.57) HTTLMNACYP1A2CYP2D6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1353/4885LMNA 157/4885CYP1A2 83/4885

“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.