SCHEMBL13999989

SCHEMBL13999989

Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
LMNA P02545 4/20 0.47
KEAP1 Q14145 1/20 0.44
DTYMK P23919 1/20 0.42
ATM Q13315 1/20 0.42
ESPL1 Q14674 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
IDO1 P14902 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6595965 0.93 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL671688 0.86 LMNA (0.51) ALDH1A1TDP1CYP3A4ALOX15LMNA
Ammonia Solution, Strong SCHEMBL9953834 0.85 LMNA (0.50) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL670578 0.84 DTYMK (0.46) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL2826498 0.84 TDP1 (0.56) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL9377747 0.84 TDP1 (0.56) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL4374393 0.81 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL13948939 0.80 DTYMK (0.50) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL1020420 0.80 DTYMK (0.46) ALDH1A1TDP1CYP3A4ALOX15LMNA
SCHEMBL23337282 0.80 TDP1 (0.40) ALDH1A1TDP1CYP3A4ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206377-B Novel method for preparing N- (3-chloro-4-fluorophenyl) -7-fluoro-6-nitro-4-quinazolinamine 江苏食品药品职业技术学院 2021-08-27 CN disclosed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 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-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK ALDH1A1 3502/4885TDP1 637/4885CYP3A4 1568/4885

“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.