SCHEMBL9950100

SCHEMBL9950100

C1=CCC2=c3cnc4ccccc4c3=NC2=C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
GPR3 P46089 1/20 0.34
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL7061139 0.82 MAPT (0.41) KDM4E
SCHEMBL982385 0.68
SCHEMBL4491679 0.64
SCHEMBL11005327 0.62
SCHEMBL31099215 0.61 TRIM58 (0.30)
SCHEMBL19020845 0.57 GPR3 (0.68) KDM4EGPR3
SCHEMBL16535871 0.55 GPR3 (0.52) KDM4EGPR3
SCHEMBL1143155 0.55 KDM4E (0.42) KDM4EGPR3
SCHEMBL29412402 0.55 KDM4E (0.42) KDM4EGPR3
SCHEMBL28551604 0.55 GPR3 (0.42) KDM4EGPR3

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-8288410-B2 3-substituted quinolinium and 7H-indolo[2,3-c]quinolinium salts as new antiinfectives FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2012-10-16 US disclosed
US-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY 2012-06-28 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-20120165369-A1 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES IDO1, IDO2, NQO2 KDM4E 1592/4885GPR3 1107/4885LRRK2 1220/4885

“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.