SCHEMBL4269732

SCHEMBL4269732

Cc1ccc(C(Cc2ccc[nH]2)[N+](=O)[O-])cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
CNR1 P21554 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9337987 0.72 ACHE (0.43) MAPTKDM4EGAALMNAHTT
SCHEMBL266009 0.72 MEN1 (0.42) MAPTKDM4EGAALMNAHTT
SCHEMBL27611568 0.71 MAPT (0.31) MAPTKDM4EGAACNR1TDP1
SCHEMBL5164396 0.71 ACHE (0.42) MAPTGAALMNAALDH1A1ACHE
SCHEMBL4269735 0.68 MAPT (0.41) MAPTKDM4EGAALMNAHTT
SCHEMBL11040665 0.65 GAA (0.39) MAPTGAAALDH1A1ACHEHSD17B10
SCHEMBL28009978 0.64
SCHEMBL3017748 0.64
SCHEMBL11040661 0.64 ACHE (0.35) MAPTKDM4EGAAHTTALDH1A1
SCHEMBL680597 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
WO-2007064842-A2 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO 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-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS MAPT 2066/4885KDM4E 3333/4885GAA 790/4885
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR MAPT 2087/4885KDM4E 3264/4885GAA 846/4885

“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.