SCHEMBL437919

SCHEMBL437919

c1ccc(CONCCCCCCCCNOCc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.48
HRAS P01112 1/20 0.47
SIGMAR1 Q99720 7/20 0.47
CHRM2 P08172 1/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8863637 0.91 MAOA (0.47) MAOAHRASSIGMAR1CHRM2NPC1
SCHEMBL9435055 0.91 HRAS (0.41) MAOAHRASSIGMAR1CHRM2TSHR
SCHEMBL12802756 0.91 SIGMAR1 (0.51) HRASSIGMAR1
SCHEMBL9775285 0.91 SIGMAR1 (0.51) HRASSIGMAR1
SCHEMBL9781675 0.91 SIGMAR1 (0.51) HRASSIGMAR1
SCHEMBL8893077 0.91 SIGMAR1 (0.51) HRASSIGMAR1
Hydrochloric Acid SCHEMBL8864207 0.89 MAOA (0.46) MAOAHRASSIGMAR1CHRM2NPC1
SCHEMBL10693909 0.88 SIGMAR1 (0.57) SIGMAR1L3MBTL1
SCHEMBL3424944 0.86 HTT (0.55) TSHRNPC1RAB9A
SCHEMBL8724007 0.86 HRAS (0.47) HRASTSHRNPC1RAB9AIDO1

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 MAOA 1174/4885HRAS 4771/4885SIGMAR1 3790/4885

“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.