SCHEMBL17487989

SCHEMBL17487989

Cn1c(NCc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)nc2ccc(NC3COC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 2/20 0.38
LCK P06239 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 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
SCHEMBL17488310 0.91 CDK2 (0.39) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18965925 0.89 NPC1 (0.41) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL17488127 0.89 TP53 (0.36) RAB9ANPC1SMN1; SMN2KMT2APDE2A
SCHEMBL17488250 0.86 NPC1 (0.36) RAB9ANPC1SMN1; SMN2KMT2ALCK
SCHEMBL18965780 0.83 CYP3A4 (0.39) RAB9ANPC1SMN1; SMN2KMT2ALCK
SCHEMBL17488139 0.83 NPC1 (0.43) RAB9ANPC1SMN1; SMN2KMT2ALCK
SCHEMBL17487724 0.83 CYP3A4 (0.35) RAB9ANPC1SMN1; SMN2KMT2ACYP3A4
SCHEMBL17488226 0.83 NPC1 (0.32) RAB9ANPC1SMN1; SMN2KMT2ALCK
SCHEMBL18965841 0.83 CYP3A4 (0.38) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18965614 0.82 CYP3A4 (0.42) RAB9ANPC1SMN1; SMN2KMT2ACDK2

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
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO 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 RAB9A 3982/4885NPC1 2764/4885SMN1; SMN2 3381/4885

“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.