SCHEMBL4910047

SCHEMBL4910047

Clc1nc2ncnc-2c(N2CCN(Cc3ccccc3)CC2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
ABCB1 P08183 1/20 0.46
ABCC1 P33527 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.45
USP2 O75604 2/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD4 P21917 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 2/20 0.44

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
Hydrochloric Acid SCHEMBL4884319 0.99 ALDH1A1 (0.45) ALDH1A1KDM4EHTTMAPTABCB1
SCHEMBL4913227 0.85 MAPT (0.40) ALDH1A1HTTMAPTABCC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4899154 0.84 MAPT (0.39) ALDH1A1HTTMAPTABCC1SMN1; SMN2
SCHEMBL4910144 0.82 NR3C1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2NPSR1
SCHEMBL4900174 0.82 ACHE (0.47) ALDH1A1KDM4EHTTMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4900154 0.81 NR3C1 (0.44) ALDH1A1HTTMAPTSMN1; SMN2NPSR1
SCHEMBL4905049 0.80 ABCB1 (0.45) ALDH1A1KDM4EHTTMAPTABCB1
SCHEMBL4907107 0.79 MAPT (0.48) ALDH1A1KDM4EMAPTABCB1ABCC1
SCHEMBL4901771 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL4901811 0.78 KDM4E (0.38) ALDH1A1KDM4EHTTMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US claimed

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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 ALDH1A1 191/4885KDM4E 4316/4885HTT 4462/4885

“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.