SCHEMBL17488268

SCHEMBL17488268

Cn1c(NCCOc2ccc(OC(F)(F)F)cc2)nc2ccc(N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
IDH1 O75874 6/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
MCHR1 Q99705 1/20 0.38
NR1I2 O75469 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRM2 Q14416 1/20 0.37
PPARG P37231 1/20 0.37
ACACB O00763 1/20 0.37
NTRK1 P04629 1/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37

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
SCHEMBL17488269 0.91 IDH1 (0.48) CYP3A4IDH1POLBSMN1; SMN2RAB9A
SCHEMBL18960398 0.87 CYP3A4 (0.41) CYP3A4IDH1POLBSMN1; SMN2RAB9A
SCHEMBL17488265 0.87 CYP3A4 (0.42) CYP3A4IDH1SMN1; SMN2ALDH1A1MCHR1
SCHEMBL18960428 0.82 NPC1 (0.47) CYP3A4IDH1SMN1; SMN2RAB9ALMNA
SCHEMBL17488283 0.81 ALDH1A1 (0.42) POLBSMN1; SMN2RAB9ALMNAHTT
SCHEMBL17488288 0.80 NTRK1 (0.41) IDH1POLBSMN1; SMN2LMNAHTT
SCHEMBL17488280 0.79 CYP3A4 (0.42) CYP3A4IDH1SMN1; SMN2ALDH1A1BRAF
SCHEMBL17488282 0.79 SMN1; SMN2 (0.41) CYP3A4IDH1POLBSMN1; SMN2RAB9A
SCHEMBL17488178 0.77 NTRK1 (0.42) IDH1NR1I2CYP1A2CYP2D6CYP2C9
SCHEMBL17488070 0.77 NOD1 (0.52) CYP3A4SMN1; SMN2RAB9ALMNAHTT

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 CYP3A4 261/4885IDH1 1717/4885POLB 2562/4885

“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.