SCHEMBL7875700

SCHEMBL7875700

COc1ccc(F)cc1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
SYK P43405 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
NR3C1 P04150 4/20 0.45
PGR P06401 4/20 0.45
ACHE P22303 2/20 0.45
S1PR1 P21453 1/20 0.44
MMEL1 Q495T6 1/20 0.43
APP P05067 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL21021670 0.89 ACHE (0.50) ERN1SYKHTTSMN1; SMN2FFAR4
SCHEMBL13422804 0.85 FFAR4 (0.49) SYKHTTSMN1; SMN2FFAR4ACHE
SCHEMBL14446041 0.84 ACHE (0.58) SYKSMN1; SMN2ACHEBACE1
SCHEMBL18593397 0.84 ERN1 (0.56) ERN1SYKSMN1; SMN2FFAR4NR3C1
SCHEMBL15997561 0.84 FFAR4 (0.49) ERN1SYKFFAR4NR3C1PGR
SCHEMBL6608193 0.83 SYK (0.52) ERN1SYKSMN1; SMN2FFAR4NR3C1
SCHEMBL8940603 0.82 ERN1 (0.51) ERN1SMN1; SMN2NR3C1PGR
SCHEMBL5326539 0.80 ERN1 (0.52) ERN1SYKSMN1; SMN2FFAR4NR3C1
SCHEMBL24476966 0.80 KDM1A (0.53) ERN1SYKFFAR4NR3C1PGR
SCHEMBL2002821 0.80 ERN1 (0.59) ERN1SYKFFAR4NR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 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 (2 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ERN1 1202/4885SYK 4569/4885HTT 1478/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME ERN1 1068/4885SYK 4512/4885HTT 3614/4885

“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.