SCHEMBL5451216

SCHEMBL5451216

O=C(O)c1ccc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.70
MAPT P10636 7/20 0.68
KMT2A Q03164 6/20 0.65
AKR1C3 P42330 2/20 0.61
AKR1C2 P52895 2/20 0.61
MEN1 O00255 5/20 0.59
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
CTSV O60911 3/20 0.56
CTSL P07711 3/20 0.56
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C1 Q04828 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL2341775 0.89 MAPT (0.71) HCAR3MAPTKMT2AAKR1C3AKR1C2
SCHEMBL6658894 0.85 MAPT (0.57) MAPTKMT2AMEN1LMNAGAA
SCHEMBL5580003 0.85 CTSV (0.57) HCAR3MAPTKMT2AAKR1C3AKR1C2
SCHEMBL810481 0.84 MAPT (0.55) MAPTKMT2AAKR1C3AKR1C2MEN1
SCHEMBL3919788 0.83 MAPK1 (0.63) MAPTKMT2AMEN1LMNAGAA
SCHEMBL14400495 0.83 MAPT (0.73) HCAR3MAPTKMT2AAKR1C3AKR1C2
SCHEMBL2338616 0.83 HCAR3 (1.00) HCAR3MAPTKMT2AAKR1C3AKR1C2
SCHEMBL17403333 0.82 MAPT (0.59) MAPTKMT2AAKR1C3AKR1C2MEN1
SCHEMBL5444479 0.81 GAA (0.67) MAPTKMT2AMEN1HPGDGAA
SCHEMBL4498364 0.81 HCAR3 (0.61) HCAR3MAPTKMT2AAKR1C3AKR1C2

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-20070232669-A1 N-phenylbenzotriazolyl c-kit inhibitors OSI PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-20070232669-A1 N-phenylbenzotriazolyl c-kit inhibitors OSI PHARMACEUTICALS, INC. 2007-10-04 US disclosed
WO-2007092403-A1 N-PHENYLBENZOTRIAZOLYL C-KIT INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-08-16 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-20070232669-A1 N-phenylbenzotriazolyl c-kit inhibitors KIT, CHUK, TNNI3K HCAR3 3267/4885MAPT 4108/4885KMT2A 297/4885

“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.