SCHEMBL6803058

SCHEMBL6803058

O=C(O)Cn1c(Cc2ccccc2)ncc(NC(=O)c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCHE P06276 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 1/20 0.41
P2RX3 P56373 1/20 0.40
LTC4S Q16873 1/20 0.40
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 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
SCHEMBL6800407 0.81 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6240894 0.81 ELANE (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6801619 0.78 TSHR (0.45) SMN1; SMN2ALDH1A1HPGDAKR1B10KDM4E
SCHEMBL6805801 0.77 RAB9A (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6803676 0.76 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6805612 0.76 HDAC2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6802993 0.76 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6803430 0.76 ALDH1A1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL6800426 0.74 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6804839 0.74 NR1H4 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US claimed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP claimed
US-20040063936-A1 Pyrimidine derivatives and process for preparing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346985-A1 PYRIMIDINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040063936-A1 Pyrimidine derivatives and process for preparing the same DPYD, NUDT1, UMPS NPC1 1638/4885RAB9A 2244/4885SMN1; SMN2 1296/4885

“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.