SCHEMBL4861878

SCHEMBL4861878

COc1ccc(NC(=N)c2ccc(SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
PTGIR P43119 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL9874228 0.88 NPC1 (0.61) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4863122 0.84 MAPT (0.52) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL4853065 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL14193769 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL20001493 0.81 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4864119 0.81 MEN1 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL14223444 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4854757 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4857030 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL4856115 0.81 MEN1 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP RAB9A 2079/4885NPC1 1563/4885SMN1; SMN2 2461/4885

“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.