SCHEMBL13133010

SCHEMBL13133010

CC(C)c1cccc(NC(=O)Nc2[nH]c(Cc3ccc(C(=O)O)cc3)nc2C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.44
KDR P35968 3/20 0.41
PDGFRB P09619 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
EPHB4 P54760 2/20 0.39
TEK Q02763 2/20 0.39
FLT3 P36888 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2816165 0.90 COPS5 (0.43) CA2MEN1KMT2ACA12CA9
SCHEMBL2814963 0.87 FLT3 (0.44) CA2KDRPDGFRBSAE1UBA2
SCHEMBL2814969 0.87 FLT3 (0.43) CA2KDRPDGFRBSAE1UBA2
SCHEMBL13133018 0.86 HPSE (0.44) CA2SAE1UBA2MEN1KMT2A
SCHEMBL13133016 0.85 SAE1 (0.41) CA2KDRSAE1UBA2MEN1
SCHEMBL13133013 0.85 MEN1 (0.43) MEN1KMT2ANTRK1RXRARXRB
SCHEMBL13133015 0.85 CCNC (0.41) CA2SAE1UBA2MEN1KMT2A
SCHEMBL17957293 0.83 CA12 (0.44) CA2SAE1UBA2MEN1KMT2A
SCHEMBL13133008 0.83 NTRK1 (0.50) CA2MEN1KMT2ANTRK1NTRK2
SCHEMBL17957271 0.83 RAB9A (0.44) CA2MEN1KMT2ACA12CA9

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-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 US disclosed
US-20100249132-A1 IMIDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-30 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-20100249132-A1 IMIDAZOLE DERIVATIVES SDHA, SDHB, TPD52L2 CA2 2001/4885KDR 1879/4885PDGFRB 3152/4885

“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.