SCHEMBL12190083

SCHEMBL12190083

CCCCCCCCOc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 2/20 0.70
KMT2A Q03164 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HPGD P15428 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
CYP19A1 P11511 4/20 0.58
CYSLTR2 Q9NS75 1/20 0.54
CYSLTR1 Q9Y271 1/20 0.54
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PDE7A Q13946 1/20 0.48

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
SCHEMBL12189817 1.00 MAPT (0.70) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6816060 0.94 MAPT (0.73) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL6815842 0.90 MAPT (0.71) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL12952804 0.89 CYP19A1 (0.62) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL30292299 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL9127581 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL9165752 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL9167621 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL1609478 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1
SCHEMBL17817183 0.87 CYP19A1 (0.66) MAPTLMNAALDH1A1KMT2ANPSR1

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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE University of Nortre Dame du Lac 2012-09-13 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 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 (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-20120232150-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 MAPT 2792/4885LMNA 2399/4885ALDH1A1 1052/4885

“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.