SCHEMBL17488263

SCHEMBL17488263

Nc1ccc2c(c1)nc(N1CCCC1)n2CCOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
IDH1 O75874 2/20 0.40
LTA4H P09960 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ESR1 P03372 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRM2 Q14416 1/20 0.38
MCHR1 Q99705 1/20 0.37
CNR2 P34972 1/20 0.37
CXCL8 P10145 1/20 0.36
NOD1 Q9Y239 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17488188 0.98 NTRK1 (0.41) NTRK1IDH1ESR1NR1I2CYP1A2
SCHEMBL17488279 0.92 NTRK1 (0.41) NTRK1LTA4HPTGS1PTGS2ESR1
SCHEMBL18960402 0.90 NTRK1 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17487330 0.89 NTRK1 (0.42) NTRK1ESR1NR1I2CYP1A2CYP2D6
SCHEMBL17488190 0.85 NTRK1 (0.41) NTRK1LTA4HPTGS1PTGS2ESR1
SCHEMBL17487333 0.85 NTRK1 (0.43) NTRK1LTA4HPTGS1PTGS2ESR1
SCHEMBL17488075 0.84 KMT2A (0.52) NTRK1IDH1NR1I2CYP1A2CYP2D6
SCHEMBL17487329 0.82 TRPV4 (0.41) NTRK1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17487369 0.81 NTRK1 (0.39) NTRK1LTA4HPTGS1PTGS2ESR1
SCHEMBL17487325 0.81 NTRK1 (0.41) NTRK1IDH1NR1I2CYP1A2CYP2D6

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 NTRK1 1236/4885IDH1 1717/4885LTA4H 27/4885

“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.