SCHEMBL18960445

SCHEMBL18960445

Cc1cc(Oc2ccc(Cl)cn2)cc(C)c1CNc1nc2ccc(N)cc2n1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CYP3A4 P08684 1/20 0.45
PPARG P37231 8/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.35
TP53 P04637 1/20 0.34
P2RX3 P56373 2/20 0.33
PKM P14618 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
SCHEMBL18960427 0.89 CYP3A4 (0.45) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL17488270 0.89 NPC1 (0.37) KDM4ECYP3A4PPARGNPC1RAB9A
SCHEMBL17488172 0.87 CYP3A4 (0.54) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL18960430 0.85 CYP3A4 (0.47) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL18960434 0.84 NPC1 (0.48) CYP3A4PPARGNPC1RAB9AKMT2A
SCHEMBL18960424 0.84 CYP3A4 (0.46) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL18960421 0.83 RAB9A (0.43) KDM4ECYP3A4PPARGNPC1RAB9A
SCHEMBL18960425 0.83 CYP3A4 (0.50) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL17488300 0.83 CYP3A4 (0.45) KDM4ECYP3A4PPARGPOLBNPC1
SCHEMBL18965948 0.82 CYP3A4 (0.40) KDM4ECYP3A4PPARGNPC1RAB9A

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 KDM4E 2989/4885CYP3A4 261/4885PPARG 472/4885

“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.