SCHEMBL17488312

SCHEMBL17488312

CC(C)c1cc(CNc2nc3ccc(N)cc3n2C)ccc1Oc1ncc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 1/20 0.41
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
KDR P35968 1/20 0.34
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL17487993 0.89 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18960426 0.84 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL17488310 0.83 CDK2 (0.39) RAB9ANPC1SMN1; SMN2KMT2ACDK2
SCHEMBL18960456 0.81 NPC1 (0.42) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18960460 0.80 TP53 (0.41) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL17488267 0.79 CYP3A4 (0.40) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18960421 0.78 RAB9A (0.43) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL17488115 0.77 NPC1 (0.50) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL18960417 0.77 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL17488270 0.77 NPC1 (0.37) RAB9ANPC1SMN1; SMN2KMT2ACYP3A4

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 3 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
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.