SCHEMBL2493877

SCHEMBL2493877

COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.78
ALDH1A1 P00352 5/20 0.78
MAPT P10636 4/20 0.78
KDM4E B2RXH2 3/20 0.63
ALOX12 P18054 2/20 0.63
CYP2C9 P11712 2/20 0.63
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
TP53 P04637 4/20 0.63
ALOX15 P16050 1/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
KCNK9 Q9NPC2 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.59
TAS1R1 Q7RTX1 1/20 0.59
TAS1R2 Q8TE23 1/20 0.59
CYP1A2 P05177 1/20 0.58

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
SCHEMBL11592884 0.87 NPC1 (0.69) SMN1; SMN2ALDH1A1MAPTCYP2C9NPC1
SCHEMBL23707818 0.85 NR1H4 (0.61) SMN1; SMN2ALDH1A1MAPTKDM4EALOX12
SCHEMBL3781363 0.83 KDM4E (0.75) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL12396116 0.83 MAPT (0.62) SMN1; SMN2ALDH1A1MAPTKDM4EALOX12
SCHEMBL19976062 0.83 NPC1 (0.73) SMN1; SMN2MAPTKDM4ENPC1RAB9A
SCHEMBL11573279 0.82 NPC1 (0.65) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL16592199 0.82 KMT2A (0.69) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL10238305 0.82 KCNK9 (0.69) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL3787237 0.81 MAPT (0.68) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL4251946 0.80 TAS1R3 (0.74) SMN1; SMN2ALDH1A1MAPTKDM4ECYP2C9

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 8 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-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
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
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 SMN1; SMN2 4812/4885ALDH1A1 3119/4885MAPT 3941/4885

“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.