SCHEMBL18965780

SCHEMBL18965780

Cc1cc(CNc2nc3ccc(NC4COC4)cc3n2C)ccc1Oc1ccc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
P2RX3 P56373 9/20 0.34
LCK P06239 1/20 0.33
PPARG P37231 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
SCHEMBL18965841 0.92 CYP3A4 (0.38) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18965614 0.90 CYP3A4 (0.42) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17488173 0.89 CYP3A4 (0.48) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18965949 0.86 NPC1 (0.43) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18965948 0.86 CYP3A4 (0.40) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18965860 0.85 CYP3A4 (0.44) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL18965926 0.84 CYP3A4 (0.41) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17487989 0.83 RAB9A (0.38) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL17488102 0.83 RAB9A (0.36) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18960421 0.83 RAB9A (0.43) CYP3A4RAB9ANPC1SMN1; SMN2KMT2A

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-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 261/4885RAB9A 3982/4885NPC1 2764/4885

“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.