SCHEMBL4265706

SCHEMBL4265706

O=[N+]([O-])c1[nH]cnc1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
GSK3B P49841 3/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PIN1 Q13526 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
EGFR P00533 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP7 P55210 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL21683243 0.71 POLB (0.61) TAAR1MAPTCYP3A4HPGDMEN1
SCHEMBL3915231 0.69 BCAT2 (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9380718 0.69 PYGM (0.43) MAPTHPGDLMNAEGFRAURKA
SCHEMBL2177925 0.69 MAPT (0.69) GSK3BMAPTPIN1L3MBTL1HPGD
SCHEMBL11834671 0.68 GSK3B (0.65) GSK3BMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11453608 0.67 TAAR1 (1.00) TAAR1MAPTCYP3A4L3MBTL1HPGD
SCHEMBL11062732 0.67 KMT2A (0.54) TAAR1MAPTMEN1LMNAKMT2A
SCHEMBL11453607 0.67 TAAR1 (1.00) TAAR1MAPTCYP3A4L3MBTL1HPGD
SCHEMBL10814167 0.66 MAPT (0.57) GSK3BMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16345563 0.66 PIN1 (0.52) GSK3BMAPTCYP1A2CYP3A4CYP2D6

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-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications MARTON MILANKOVITS 2009-05-14 US disclosed
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications MILANKOVITS MARTON 2009-03-19 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 (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-20090124593-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their ExtraGenital Complications SOD1, OAT, ELANE TAAR1 4786/4885GSK3B 3532/4885MAPT 252/4885
US-20090074839-A1 Pharmaceutical Compositions Primarily for the Treatment and Prevention of Genitourinary Infections and their Extragenital Complications DHFR, FPGS, FOLR1 TAAR1 4385/4885GSK3B 3831/4885MAPT 1948/4885

“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.