SCHEMBL21159847

SCHEMBL21159847

N#Cc1ccc(N=O)cc1N=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.34
▸ MAOA P21397 4/20 0.34
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HIF1A Q16665 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ MTOR P42345 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
SCHEMBL92582 0.83 MAOB (0.45) MAOBMAOAALDH1A1TRPV4
SCHEMBL13482623 0.78 GRM4 (0.34) MAOBMAOALMNAALDH1A1HSD17B10
SCHEMBL13448744 0.78 KDM4E (0.35) MAOBMAOALMNAALDH1A1HSD17B10
SCHEMBL13482633 0.78 MAOB (0.41) MAOBMAOAALDH1A1HSD17B10MEN1
SCHEMBL12145185 0.78 MAOB (0.34) MAOBMAOALMNAALDH1A1HSD17B10
SCHEMBL8739027 0.78 TRPV4 (0.52) TRPV4
SCHEMBL13063629 0.78 VCAM1 (0.49) MAOBMAOALMNAALDH1A1HSD17B10
SCHEMBL28254037 0.78 AR (0.39) ALDH1A1HSD17B10TSHRMEN1MAPT
SCHEMBL13361828 0.78 TRPV4 (0.38) MAOBMAOAALDH1A1MAPK1MEN1
SCHEMBL13667299 0.78 LMNA (0.45) MAOBMAOALMNAALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11857352-B2 Positron imaging tomography imaging agent composition and method for bacterial infection THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 — — US disclosed
US-20190209103-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION The Research Foundation for The State University o f New York (US) 2019-07-11 — — US disclosed
CN-101959882-A Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2011-01-26 — — CN 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 (2 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-11857352-B2 Positron imaging tomography imaging agent composition and method for bacterial infection SLC6A19, SLC1A5, TMEM14C MAOB 589/4885MAOA 2185/4885LMNA 4598/4885
US-20190209103-A1 POSITRON IMAGING TOMOGRAPHY IMAGING AGENT COMPOSITION AND METHOD FOR BACTERIAL INFECTION SLC6A19, SLC1A5, TMEM14C MAOB 589/4885MAOA 2185/4885LMNA 4598/4885

“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.

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