SCHEMBL20240297

SCHEMBL20240297

CCNOCc1ccc(-c2ccccc2)cc1.c1cc2ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.52
HRAS P01112 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
KCNH2 Q12809 1/20 0.41
GSTP1 P09211 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAAA Q02083 2/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1983662 0.88 HRAS (0.49) IDO1AGXTHRASNPC1RAB9A
Hydrochloric Acid SCHEMBL4776332 0.86 HRAS (0.47) IDO1AGXTHRASNPC1RAB9A
SCHEMBL28733756 0.74 IDO1 (0.53) IDO1AGXTTAAR1NPC1RAB9A
SCHEMBL2614813 0.74 IDO1 (0.57) IDO1AGXTTAAR1GSTP1NAAA
Biphenyl SCHEMBL27942111 0.73 IDO1 (0.61) IDO1AGXTTAAR1KCNH2GSTP1
SCHEMBL3146138 0.73 IDO1 (0.61) IDO1AGXTTAAR1KCNH2GSTP1
SCHEMBL1240611 0.72 HRAS (0.46) IDO1AGXTHRASTAAR1NPC1
SCHEMBL2781355 0.72 TSHR (0.70) IDO1AGXTTAAR1GSTP1NPC1
SCHEMBL13793595 0.72 CYP2A6 (0.53) NPC1RAB9ASMN1; SMN2GAATSHR
SCHEMBL10776729 0.71 HRAS (0.68) IDO1AGXTHRASNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551611-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 EP disclosed
US-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-08-20 US disclosed
WO-2018107158-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 WO disclosed
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 US 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 (2 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-10385007-B2 Monamine and monoamine derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, MAOB, LTB4R IDO1 330/4885AGXT 2313/4885HRAS 4044/4885
US-20180162802-A1 MONAMINE AND MONOAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, MAOB, LTB4R IDO1 330/4885AGXT 2313/4885HRAS 4044/4885

“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.