SCHEMBL657763

SCHEMBL657763

O=C(/C=C/c1ccc(Br)cc1F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
LMNA P02545 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1B1 Q16678 3/20 0.54
TYR P14679 1/20 0.54
CYP1A1 P04798 1/20 0.51
MAOB P27338 2/20 0.49
RECQL P46063 2/20 0.49
BCHE P06276 2/20 0.49
PLIN1 O60240 1/20 0.49
TNFRSF1A P19438 1/20 0.49
ACHE P22303 1/20 0.49
PLIN5 Q00G26 1/20 0.49
ABHD5 Q8WTS1 1/20 0.49
RELA Q04206 2/20 0.48
NTSR1 P30989 1/20 0.48
AR P10275 1/20 0.47

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
SCHEMBL657764 1.00 MAPT (0.60) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL13464612 0.85 CYP1B1 (0.52) MAPTLMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL13464610 0.85 RELA (0.49) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL27940683 0.84 CYP1B1 (0.69) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL1321093 0.84 CYP1A1 (0.60) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL13720092 0.83 TYR (0.72) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL28396312 0.83 TYR (0.72) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL27799411 0.83 TYR (0.72) MAPTRAB9ACYP1B1TYRCYP1A1
SCHEMBL1469976 0.82 MIF (0.67) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL1469977 0.82 MIF (0.67) MAPTLMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAPT 964/4885LMNA 3119/4885NPC1 2687/4885

“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.