SCHEMBL2500622

SCHEMBL2500622

N#Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
F2 P00734 1/20 0.54
PLG P00747 1/20 0.54
PLAU P00749 1/20 0.54
KLKB1 P03952 1/20 0.54
PRSS1 P07477 1/20 0.54
ESR1 P03372 1/20 0.53
MLYCD O95822 1/20 0.52
MAPT P10636 6/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL6251549 0.84 NR1H4 (0.63) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL6682415 0.83 MEN1 (0.60) NPC1RAB9AMEN1KMT2AF2
SCHEMBL23657701 0.83 NPC1 (0.60) NPC1RAB9AMEN1KMT2AF2
SCHEMBL19976062 0.83 NPC1 (0.73) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL5897201 0.82 NPC1 (0.59) NPC1RAB9AMEN1KMT2AF2
SCHEMBL23707818 0.82 NR1H4 (0.61) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL2494946 0.80 PPARG (0.62) NPC1RAB9AMEN1KMT2APPARG
SCHEMBL31311100 0.79 MLYCD (0.68) NPC1RAB9AMEN1KMT2AF2
SCHEMBL20764458 0.79 MLYCD (0.68) NPC1RAB9AMEN1KMT2AF2
SCHEMBL9337665 0.79 MLYCD (0.76) NPC1RAB9AMEN1KMT2AF2

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-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 WO 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 NPC1 4681/4885RAB9A 3189/4885MEN1 4727/4885

“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.