SCHEMBL6396705

SCHEMBL6396705

Cc1nc(SCc2ccc(Cl)cc2)nc2c1CCCC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
NPC1 O15118 1/20 0.73
RAB9A P51151 1/20 0.73
LMNA P02545 6/20 0.72
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 2/20 0.69
GFER P55789 1/20 0.69
HTT P42858 5/20 0.59
GAA P10253 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MAPK1 P28482 1/20 0.54
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
MMP13 P45452 1/20 0.53

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
SCHEMBL10389669 0.76 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL856770 0.73 L3MBTL1 (0.71) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL10411023 0.72 HTT (0.70) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL6396777 0.71 KMT2A (0.97) L3MBTL1LMNAMEN1KMT2AKDM4E
SCHEMBL6392101 0.70 MEN1 (0.52) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17558052 0.70 MEN1 (0.66) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL1101904 0.70 KDM4E (0.55) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL17563560 0.70 MEN1 (0.57) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6670056 0.69 MEN1 (0.66) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL6394361 0.68 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2NPC1RAB9ALMNA

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-6946115-B2 Prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. (US) 2005-09-20 US disclosed
US-20050065166-A1 Substituted pyrimidines BAYER CROPSCIENCE AG (DE) 2005-03-24 US disclosed
EP-1444208-A1 SUBSTITUTED PYRIMIDINES Bayer CropScience AG (DE) 2004-08-11 EP disclosed
WO-2003037878-A1 SUBSTITUTED PYRIMIDINES BAYER CROPSCIENCE AG (DE) 2003-05-08 WO disclosed
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds METABASIS THERAPEUTICS, INC. 2002-05-02 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 (2 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-20050065166-A1 Substituted pyrimidines DPYD, DHFR, TYMP L3MBTL1 1248/4885SMN1; SMN2 2717/4885NPC1 4447/4885
US-20020052345-A1 Novel prodrugs for phosphorus-containing compounds CCRL2, CCR4, ALK L3MBTL1 1446/4885SMN1; SMN2 2218/4885NPC1 674/4885

“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.