SCHEMBL2388018

SCHEMBL2388018

COc1ccc(Oc2ncnc(-c3ccc(C(F)(F)F)cc3F)c2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ LMNA P02545 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ABCC8 Q09428 2/20 0.38
▸ KCNJ11 Q14654 2/20 0.38
▸ KDR P35968 4/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BRAF P15056 3/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ TNNI3K Q59H18 2/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ MERTK Q12866 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
SCHEMBL1292949 0.83 MAPT (0.43) MAPTALDH1A1KDRRAB9AKIT
SCHEMBL2308521 0.82 L3MBTL1 (0.47) MAPTLMNAKDRRAB9AL3MBTL1
SCHEMBL1888269 0.76 MEN1 (0.43) MAPTLMNAALDH1A1SMN1; SMN2ABCC8
SCHEMBL2387912 0.73 MEN1 (0.41) MAPTABCC8KCNJ11KDRL3MBTL1
SCHEMBL17664479 0.73 ALOX5AP (0.40) KIT
SCHEMBL21611354 0.73 MAPT (0.75) MAPTLMNAALDH1A1SMN1; SMN2KDR
SCHEMBL1885931 0.73 FEN1 (0.46) KDRRAB9AL3MBTL1KIT
SCHEMBL2390339 0.71 ALOX5AP (0.40) MAPTKDRBRAFMAPK14TNNI3K
SCHEMBL2386528 0.70 L3MBTL1 (0.46) MAPTLMNASMN1; SMN2RAB9AL3MBTL1
SCHEMBL21611534 0.70 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 — — US claimed
US-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-09-22 — — 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 (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-20110230485-A1 6-PHENYL-PYRIMIDIN-4-YL-(PHENYLAMINE OR PHENOXY) DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA6, CHRNA7 MAPT 414/4885LMNA 1984/4885ALDH1A1 2121/4885

“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.

Send feedback