SCHEMBL17488206

SCHEMBL17488206

O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCNC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.68
EPHX1 P07099 4/20 0.62
EPHX2 P34913 10/20 0.54
LIPE Q05469 1/20 0.53
MAPT P10636 4/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL23390079 1.00 HTR2C (0.68) HTR2CEPHX1EPHX2LIPEMAPT
SCHEMBL23390173 0.92 HTR2C (0.59) HTR2CEPHX1EPHX2LIPEMAPT
SCHEMBL18960368 0.82 EPHX2 (0.64) EPHX1EPHX2LIPEMAPTTP53
SCHEMBL2146682 0.80 KMT2A (0.56) NPC1TSHRKMT2A
SCHEMBL2146675 0.80 KMT2A (0.56) NPC1TSHRKMT2A
SCHEMBL27852403 0.80 EPHX1 (0.62) HTR2CEPHX1EPHX2MAPTMEN1
SCHEMBL4630575 0.80 HTR2C (0.62) HTR2CEPHX1EPHX2LIPESMN1; SMN2
Hydrochloric Acid SCHEMBL2146077 0.79 KMT2A (0.55) NPC1TSHRKMT2A
Hydrochloric Acid SCHEMBL2146071 0.79 KMT2A (0.55) NPC1TSHRKMT2A
SCHEMBL4630807 0.79 HTR2C (0.61) HTR2CEPHX1SMN1; SMN2MEN1KMT2A

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 HTR2C 149/4885EPHX1 65/4885EPHX2 80/4885

“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.