SCHEMBL17487542

SCHEMBL17487542

O=S(=O)(c1ccc(Cl)cc1)c1ccc(CNc2nc3cc(NC4COC4)ccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
FABP4 P15090 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
NOD1 Q9Y239 1/20 0.38
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL17487541 0.88 RAB9A (0.39) FABP4LMNARAB9APOLBMEN1
SCHEMBL17487676 0.81 CYP3A4 (0.36) LMNARAB9AMEN1NPC1KMT2A
SCHEMBL17487996 0.80 RAB9A (0.45) FABP4LMNARAB9AMEN1NPC1
SCHEMBL17487326 0.79 RAB9A (0.46) LMNARAB9AMEN1NPC1KMT2A
SCHEMBL17487543 0.79 FABP4 (0.46) FABP4NPSR1NOD1LMNARAB9A
SCHEMBL17487741 0.77 RAB9A (0.37) LMNARAB9AMEN1NPC1KMT2A
SCHEMBL18965919 0.77 RAB9A (0.36) LMNARAB9AMEN1NPC1KMT2A
SCHEMBL17488033 0.75 RAB9A (0.42) LMNARAB9APOLBMEN1NPC1
SCHEMBL17488137 0.74 F10 (0.45) RAB9APOLBNPC1KMT2ASMN1; SMN2
SCHEMBL17488138 0.74 RAB9A (0.37) LMNARAB9AMEN1NPC1KMT2A

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 HTR6 138/4885FABP4 3761/4885NPSR1 722/4885

“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.