SCHEMBL395518

SCHEMBL395518

C#CCCn1nc2ccccc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
MPO P05164 8/20 0.38
ATM Q13315 1/20 0.37
CYP1A2 P05177 2/20 0.35
SCN8A Q9UQD0 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
TERT O14746 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL25424736 0.81 MPO (0.38) MPOATMCYP1A2SCN8ATLR7
SCHEMBL23229321 0.78 ATM (0.58) ESR2MPOATMMEN1KMT2A
SCHEMBL844215 0.75 ESR2 (0.46) ESR2MPOATMCYP1A2SCN8A
SCHEMBL845240 0.74 ESR2 (0.49) ESR2MPOATMCYP1A2SCN8A
SCHEMBL25153638 0.74 MPO (0.45) ESR2MPOATMCYP1A2MEN1
Hydrochloric Acid SCHEMBL845090 0.74 ESR2 (0.45) ESR2MPOATMCYP1A2SCN8A
SCHEMBL1170095 0.73 SCN8A (0.50) ESR2CYP1A2SCN8AMEN1KMT2A
SCHEMBL104459 0.70 CYP1A2 (0.32) CYP1A2TLR7
SCHEMBL101091 0.70 MAPT (0.38) ATMTLR7MEN1KMT2AGLA
SCHEMBL13067164 0.67 ESR2 (0.49) ESR2MPOATMTSHRMAOA

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-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 ESR2 407/4885MPO 4112/4885ATM 3987/4885

“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.