SCHEMBL5735290

SCHEMBL5735290

CC(=O)Nc1ccc(OC(C)=O)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
RORC P51449 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
TOP1 P11387 2/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL5952099 0.84 ALDH1A1 (0.62) ALDH1A1RORCTDP1KMT2AMEN1
SCHEMBL13238567 0.82 TOP1 (0.74) ALDH1A1TDP1KMT2AMEN1KDM4E
SCHEMBL9391354 0.81 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL10890837 0.81 RORC (0.68) ALDH1A1RORCKMT2AMEN1HPGD
SCHEMBL4785449 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL13763482 0.80 TDP1 (0.70) ALDH1A1RORCTDP1KMT2AMEN1
SCHEMBL10334083 0.80 CFD (0.63) ALDH1A1RORCTDP1KMT2AMEN1
SCHEMBL27295012 0.79 SMN1; SMN2 (0.53) ALDH1A1RORCTDP1KMT2AMEN1
SCHEMBL10334194 0.79 SMN1; SMN2 (0.60) ALDH1A1RORCTDP1KMT2AMEN1
SCHEMBL21649325 0.79 ALDH1A1 (0.56) ALDH1A1RORCTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189804-A1 Synthetic method for the preparation of quinazolin-4-one derivative BTG INTERNATIONAL LIMITED (GB) 2006-08-24 US disclosed
EP-1675831-A2 SYNTHETIC METHOD FOR THE PREPARATION OF QUINAZOLIN-4-ONE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2006-07-05 EP disclosed
WO-2005012260-A2 SYNTHETIC METHOD FOR THE PREPARATION OF QUINAZOLIN-4-ONE DERIVATIVE BTG INTERNATIONAL LIMITED (GB) 2005-02-10 WO disclosed
EP-0114734-B1 PYRIDINYLMETHYLAMINO-ARYLIC ACIDS THE UPJOHN COMPANY (US) 1987-05-13 EP disclosed
US-4568763-A Process for producing N-acyl-acyloxy aromatic amines CELANESE CORPORATION (US) 1986-02-04 US disclosed
EP-0168908-A1 Process for producing N-acyl-acyloxy aromatic amines CELANESE CORPORATION (US) 1986-01-22 EP disclosed
US-4486593-A 2-,3-, or 4-Pyridinylmethylamino arylic acids as thromboxane A2 synthetase and 5-lipoxygenase inhibitors THE UPJOHN COMPANY (US) 1984-12-04 US disclosed
EP-0114734-A2 Pyridinylmethylamino-arylic acids THE UPJOHN COMPANY (US) 1984-08-01 EP 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-20060189804-A1 Synthetic method for the preparation of quinazolin-4-one derivative CYP4F3, CYP3A4, CYP4F11 ALDH1A1 2145/4885RORC 2396/4885TDP1 2671/4885

“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.