SCHEMBL4269090

SCHEMBL4269090

COc1cc(NC(=S)N[C@H]2CC[C@@H](Nc3cc(N(C)C)nc(C)n3)CC2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 2/20 0.38
CNR1 P21554 1/20 0.38
KCNH2 Q12809 1/20 0.38
AURKB Q96GD4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTK2 Q05397 1/20 0.36
MCHR1 Q99705 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 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
SCHEMBL4269094 1.00 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2GAARAB9A
SCHEMBL4264176 0.88 CNR1 (0.42) ALDH1A1SMN1; SMN2GAAKDM4ECNR1
SCHEMBL4264170 0.88 CNR1 (0.42) ALDH1A1SMN1; SMN2GAAKDM4ECNR1
SCHEMBL4263021 0.83 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL4263017 0.83 ALDH1A1 (0.58) ALDH1A1HTTSMN1; SMN2L3MBTL1MAPT
SCHEMBL4263758 0.81 CRHR1 (0.41) ALDH1A1HTTSMN1; SMN2GAARAB9A
SCHEMBL4263765 0.81 CRHR1 (0.41) ALDH1A1HTTSMN1; SMN2GAARAB9A
SCHEMBL6459387 0.80 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2GAARAB9A
SCHEMBL6459383 0.80 ALDH1A1 (0.42) ALDH1A1HTTSMN1; SMN2GAARAB9A
SCHEMBL4256741 0.79 SMN1; SMN2 (0.36) ALDH1A1HTTSMN1; SMN2GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 ALDH1A1 765/4885HTT 1365/4885SMN1; SMN2 898/4885

“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.