SCHEMBL2217784

SCHEMBL2217784

S=C=Nc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.67
APP P05067 1/20 0.52
P2RY6 Q15077 1/20 0.48
MAPT P10636 2/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HSD17B10 Q99714 2/20 0.41
FFAR1 O14842 4/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GRM5 P41594 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL22222383 0.92 MIF (0.61) MIFAPPP2RY6MAPTCA1
Phenylisothiocyanate SCHEMBL20984 0.81
SCHEMBL14996343 0.81 APP (0.48) MIFAPPP2RY6CA1CA2
SCHEMBL19057508 0.81 P2RY6 (0.47) MIFAPPP2RY6MAPTCA1
SCHEMBL14996360 0.81 APP (0.48) MIFAPPP2RY6CA1CA2
SCHEMBL23051721 0.81 P2RY6 (0.47) MIFP2RY6MAPTCA1CA2
SCHEMBL17225183 0.81 P2RY6 (0.47) MIFP2RY6MAPTCA1CA2
SCHEMBL1333233 0.79 P2RY6 (0.45) MIFP2RY6CA1CA2HSD17B10
Phenylisothiocyanate SCHEMBL2399995 0.79 MIF (0.94) MIFP2RY6MAPTCA1CA2
Phenylisothiocyanate SCHEMBL25197976 0.79 MIF (0.94) MIFP2RY6MAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455563-B2 Reactive mesogenic compounds and mixtures MERCK PATENT GMBH (DE) 2013-06-04 US claimed
EP-2227513-B1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GMBH (DE) 2012-08-29 EP claimed
US-20110178200-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-21 US claimed
EP-2227513-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES Merck Patent GmbH (DE) 2010-09-15 EP claimed
WO-2009086911-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GMBH (DE) 2009-07-16 WO claimed
CN-106978192-B A kind of high birefringence rate liquid crystal compound and preparation method thereof with and combinations thereof 西安近代化学研究所 2019-02-12 CN disclosed
US-8455563-B2 Reactive mesogenic compounds and mixtures MERCK PATENT GMBH (DE) 2013-06-04 US disclosed
EP-2227513-B1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GMBH (DE) 2012-08-29 EP disclosed
US-20110178200-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-21 US disclosed
EP-2227513-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES Merck Patent GmbH (DE) 2010-09-15 EP disclosed
WO-2009086911-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES MERCK PATENT GMBH (DE) 2009-07-16 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-20110178200-A1 REACTIVE MESOGENIC COMPOUNDS AND MIXTURES BLM, MITF, PARG MIF 444/4885APP 1479/4885P2RY6 2224/4885

“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.