SCHEMBL18960424

SCHEMBL18960424

Cn1c(NCc2ccc(Oc3ccc(Cl)cn3)cc2Cl)nc2ccc(N)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
PPARG P37231 4/20 0.45
TP53 P04637 2/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
HTT P42858 1/20 0.34

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 0.92 CYP3A4 (0.45) CYP3A4PPARGTP53KDM4EPOLB
SCHEMBL17488300 0.91 CYP3A4 (0.45) CYP3A4PPARGTP53KDM4EPOLB
SCHEMBL18960443 0.90 NPC1 (0.53) CYP3A4PPARGTP53KDM4EPOLB
SCHEMBL17488172 0.88 CYP3A4 (0.54) CYP3A4PPARGKDM4EPOLBNPC1
SCHEMBL18960430 0.86 CYP3A4 (0.47) CYP3A4PPARGTP53KDM4EPOLB
SCHEMBL18960445 0.84 KDM4E (0.45) CYP3A4PPARGTP53KDM4EPOLB
SCHEMBL18960425 0.84 CYP3A4 (0.50) CYP3A4PPARGKDM4EPOLBNPC1
SCHEMBL18960434 0.84 NPC1 (0.48) CYP3A4PPARGTP53NPC1RAB9A
SCHEMBL18965852 0.82 CYP3A4 (0.41) CYP3A4PPARGTP53NPC1RAB9A
SCHEMBL17488101 0.80 RAB9A (0.40) TP53KDM4EPOLBNPC1RAB9A

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 472/4885TP53 2004/4885

“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.