SCHEMBL15314942

SCHEMBL15314942

Cc1cc(C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 3/20 0.49
PDE1C Q14123 1/20 0.48
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
HTT P42858 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 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
SCHEMBL14138486 0.84 L3MBTL1 (0.55) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL20897393 0.83 CTSV (0.52) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL7886556 0.82 TDP1 (0.54) ALDH1A1KMT2ARAB9ATDP1MAPK1
SCHEMBL1679925 0.81 MAPT (0.43) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL2706463 0.81 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL28503829 0.81 L3MBTL1 (0.50) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL28323455 0.81 RAB9A (0.59) ALDH1A1KMT2AMAPTRAB9ATDP1
SCHEMBL2014208 0.81 TSHR (0.60) ALDH1A1KMT2ARAB9ATDP1MAPK1
SCHEMBL27474529 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTRAB9ATSHR
SCHEMBL2089147 0.80 MEN1 (0.54) ALDH1A1KMT2AMAPTL3MBTL1LMNA

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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 ALDH1A1 3742/4885KMT2A 3832/4885MAPT 4666/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 ALDH1A1 3742/4885KMT2A 3832/4885MAPT 4666/4885

“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.