SCHEMBL2365689

SCHEMBL2365689

O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.66
GAA P10253 2/20 0.63
MAPK1 P28482 2/20 0.61
FAAH O00519 4/20 0.58
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 2/20 0.54
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
LOXL2 Q9Y4K0 2/20 0.53
LIPE Q05469 2/20 0.53
THRB P10828 1/20 0.52
MGLL Q99685 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL2365744 0.86 LMNA (0.73) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL6840278 0.84 GAA (0.66) MRGPRX4GAAMAPK1LMNAL3MBTL1
SCHEMBL30334648 0.84 MAPK1 (0.55) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL4327207 0.83 LMNA (0.73) MRGPRX4GAALMNAMAPTRAB9A
SCHEMBL9170212 0.83 MAPK1 (0.57) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL10436236 0.83 MAPK1 (0.63) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL5926689 0.82 LOXL2 (0.62) MRGPRX4GAAMAPK1FAAHL3MBTL1
SCHEMBL24664169 0.81 MAPK1 (0.57) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL29123588 0.81 MAPK1 (0.57) MRGPRX4GAAMAPK1FAAHLMNA
SCHEMBL5651111 0.81 MAPK1 (0.67) MRGPRX4GAAMAPK1FAAHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927549-B2 Adamantyl benzamide derivatives HIGH POINT PHARMACEUTICALS, LLC (US) 2015-01-06 US disclosed
US-20110224244-A1 Adamantyl Benzamide Derivatives HIGH POINT PHARMACEUTICALS, LLC (US) 2011-09-15 US disclosed
EP-2362730-A1 ADAMANTYL BENZAMIDE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2011-09-07 EP disclosed
WO-2010059618-A1 ADAMANTYL BENZAMIDE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-27 WO disclosed
US-4401460-A Herbicidal phenoxypyridines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-30 US disclosed
EP-0021613-B1 PYRIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM, HERBICIDAL COMPOSITIONS CONTAINING THEM AND METHODS OF KILLING PLANTS THEREWITH IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-06 EP disclosed
US-4308053-A PREEMERGENCE AND POSTEMERGENCE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-29 US disclosed
EP-0021613-A1 Pyridine derivatives, processes for preparing them, herbicidal compositions containing them and methods of killing plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP 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-20110224244-A1 Adamantyl Benzamide Derivatives HSD11B1, HSD17B11, HSD3B1 MRGPRX4 2741/4885GAA 411/4885MAPK1 2990/4885

“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.