SCHEMBL17829593

SCHEMBL17829593

Cc1cc(-c2cn(C(=O)CN)c3ccc(Cl)cc23)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
ACLY P53396 1/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
GFER P55789 1/20 0.33
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
MAPK8 P45983 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL17825526 0.89 MAPT (0.38) KDM4EALDH1A1AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL17818452 0.88 MAPT (0.37) KDM4EALDH1A1AKR1C3AKR1C2
SCHEMBL17829591 0.83 XIAP (0.38) PTGS2PTGS1ACLYPTGDR2KDM4E
SCHEMBL17829607 0.80 MAP3K14 (0.44) PTGDR2KDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL17831843 0.80 MAP3K14 (0.34) PTGS2PTGS1PTGDR2KDM4EALDH1A1
SCHEMBL17818481 0.77 ALDH1A1 (0.36) ALDH1A1AKR1C3AKR1C2GFER
SCHEMBL17818489 0.76 MAPT (0.40) PTGDR2AKR1C3AKR1C2
SCHEMBL17831847 0.73 AKR1C3 (0.41) PTGS2PTGDR2KDM4EAKR1C3AKR1C2
SCHEMBL17829967 0.73 KDM4E (0.37) PTGDR2KDM4EAKR1C3AKR1C2
SCHEMBL17829966 0.73 AKR1C3 (0.35) PTGS1AKR1C3AKR1C2MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 PTGS2 2539/4885PTGS1 1975/4885ACLY 2241/4885

“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.