SCHEMBL4252852

SCHEMBL4252852

[NH]CCc1ccc(O)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.46
ESR2 Q92731 7/20 0.46
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 1/20 0.31
DEGS1 O15121 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
SCHEMBL2429377 0.80 ESR1 (0.47) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL4812865 0.78 ESR1 (0.46) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL8193278 0.78 ESR1 (0.50) ESR1ESR2NPC1RAB9ADEGS1
SCHEMBL20133367 0.77 ESR1 (0.44) ESR1ESR2FFAR1DEGS1
SCHEMBL17141720 0.76 ESR2 (0.41) ESR1ESR2
SCHEMBL6810902 0.75 ESR1 (0.47) ESR1ESR2MEN1NPC1RAB9A
SCHEMBL20436993 0.75 ESR1 (0.43) ESR1ESR2NPC1RAB9ADEGS1
Phosphonic Acid SCHEMBL4259990 0.75 ESR1 (0.40) ESR1ESR2KMT2AFFAR1DEGS1
SCHEMBL30283084 0.75 ESR1 (0.51) ESR1ESR2DEGS1
SCHEMBL1924446 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 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-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS ESR1 1062/4885ESR2 1519/4885MEN1 3014/4885

“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.