SCHEMBL18960419

SCHEMBL18960419

CCC(Nc1nc2ccc(N)cc2n1C)c1ccc(Oc2ccc(Cl)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
PPARG P37231 2/20 0.42
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
P2RX3 P56373 12/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL18960462 0.89 ATP1A1 (0.40) CYP3A4PPARGATP1A1ATP1B1ATP1A3
SCHEMBL18960416 0.88 CYP3A4 (0.43) CYP3A4PPARGATP1A1ATP1B1ATP1A3
SCHEMBL17488301 0.83 CYP3A4 (0.39) CYP3A4PPARGATP1A1ATP1B1ATP1A3
SCHEMBL17488172 0.81 CYP3A4 (0.54) CYP3A4PPARGKDM4EPOLBP2RX3
SCHEMBL18960430 0.78 CYP3A4 (0.47) CYP3A4PPARGFPR2SCN9AKDM4E
SCHEMBL18960425 0.77 CYP3A4 (0.50) CYP3A4PPARGKDM4EPOLBP2RX3
SCHEMBL18960424 0.77 CYP3A4 (0.46) CYP3A4PPARGKDM4EPOLBRAB9A
SCHEMBL17488004 0.77 CYP3A4 (0.46) CYP3A4PPARGFPR2SCN9AP2RX3
SCHEMBL18960427 0.76 CYP3A4 (0.45) CYP3A4PPARGKDM4EPOLBRAB9A
SCHEMBL17488305 0.76 LMNA (0.47) CYP3A4P2RX3RAB9A

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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 CYP3A4 261/4885PPARG 472/4885ATP1A1 2225/4885

“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.