SCHEMBL14076331

SCHEMBL14076331

O=C1N/C(=N/Cc2ccccc2)C(c2cc(F)cc(F)c2)N1CCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.47
MDM2 Q00987 12/20 0.47
RXFP1 Q9HBX9 2/20 0.44
TSHR P16473 1/20 0.41
ANXA2 P07355 1/20 0.40
S100A10 P60903 1/20 0.40

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
SCHEMBL5062689 1.00 TP53 (0.47) TP53MDM2RXFP1TSHRANXA2
SCHEMBL5062691 1.00 TP53 (0.47) TP53MDM2RXFP1TSHRANXA2
SCHEMBL5058106 0.92 TSHR (0.43) TP53MDM2RXFP1TSHR
SCHEMBL14076323 0.92 TSHR (0.43) TP53MDM2RXFP1TSHR
SCHEMBL5058109 0.92 TSHR (0.43) TP53MDM2RXFP1TSHR
SCHEMBL5061982 0.91 RXFP1 (0.52) TP53MDM2RXFP1TSHRANXA2
SCHEMBL14076329 0.91 RXFP1 (0.52) TP53MDM2RXFP1TSHRANXA2
SCHEMBL5061975 0.91 RXFP1 (0.52) TP53MDM2RXFP1TSHRANXA2
SCHEMBL5056624 0.91 TP53 (0.44) TP53MDM2RXFP1TSHR
SCHEMBL14076236 0.91 TP53 (0.44) TP53MDM2RXFP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 EP disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL TP53 4245/4885MDM2 4423/4885RXFP1 1177/4885

“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.