SCHEMBL4910144

SCHEMBL4910144

Clc1nc2ncnc-2c(N2CCC(Cc3ccccc3)CC2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
STAT3 P40763 1/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.43
CCR3 P51677 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM2 Q14416 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
PRCP P42785 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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 SCHEMBL4900154 0.99 NR3C1 (0.44) NR3C1HTTSMN1; SMN2MAPTL3MBTL1
Hydrochloric Acid SCHEMBL4884319 0.81 ALDH1A1 (0.45) HTTSMN1; SMN2MAPTNPC1TSHR
SCHEMBL4913227 0.79 MAPT (0.40) HTTSMN1; SMN2MAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL4904993 0.79 CNR1 (0.41)
Hydrochloric Acid SCHEMBL4899154 0.78 MAPT (0.39) HTTSMN1; SMN2MAPTNPC1ALDH1A1
SCHEMBL4908538 0.75 HPGD (0.36) HTTSMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL4907107 0.74 MAPT (0.48) SMN1; SMN2MAPTTSHRALDH1A1NPSR1
SCHEMBL4901771 0.74 ALDH1A1 (0.53) MAPTTSHRALDH1A1LMNAMEN1
SCHEMBL4901811 0.73 KDM4E (0.38) HTTMAPTNPC1TSHRALDH1A1
SCHEMBL4911095 0.72 HIF1A (0.34) HTTSMN1; SMN2MAPTTSHRALDH1A1

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 NR3C1 3082/4885HTT 4462/4885SMN1; SMN2 1202/4885

“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.