SCHEMBL19658013

SCHEMBL19658013

Cc1cccc(CONC(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
TAAR1 Q96RJ0 2/20 0.53
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.46
MAOB P27338 5/20 0.44
F2 P00734 4/20 0.41
MAOA P21397 1/20 0.40
NR3C2 P08235 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40

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
SCHEMBL17894362 0.79 AGXT (0.57) RAB9AF2MMP2MMP9MMP12
SCHEMBL1741620 0.78 NPC1 (0.56) IDO1RAB9A
Hydrochloric Acid SCHEMBL28129374 0.77 NPC1 (0.55) IDO1RAB9A
SCHEMBL13938654 0.77 IDO1 (0.60) IDO1TAAR1RAB9APOLBMAOB
SCHEMBL24211764 0.77 TAAR1 (0.53) IDO1TAAR1POLBNR3C2
SCHEMBL17894428 0.76 F10 (0.49) MAOBF2MMP2MMP9MMP12
SCHEMBL10648740 0.76 TAAR1 (0.56) IDO1TAAR1
SCHEMBL10107046 0.75 IDO1 (0.58) IDO1TAAR1RAB9APOLBMAOB
SCHEMBL24067485 0.75 IDO1 (0.58) IDO1TAAR1RAB9APOLBMAOB
Acetic Acid SCHEMBL27764846 0.75 NPC1 (0.57) RAB9AMAOB

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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB IDO1 794/4885TAAR1 4285/4885RAB9A 1751/4885

“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.