SCHEMBL21963567

SCHEMBL21963567

COC(=O)c1ccc(OC(=O)c2cccnc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.78
ALDH1A1 P00352 5/20 0.76
MAPT P10636 6/20 0.72
ATM Q13315 1/20 0.68
LMNA P02545 3/20 0.68
THRB P10828 1/20 0.68
CYP3A4 P08684 1/20 0.66
KDM4E B2RXH2 1/20 0.65
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
MEN1 O00255 1/20 0.63
HPGD P15428 1/20 0.63
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL21243070 0.89 KMT2A (0.84) KMT2AALDH1A1MAPTATMLMNA
SCHEMBL31006272 0.88 KMT2A (1.00) KMT2AALDH1A1MAPTATMLMNA
Methyl Nicotinate SCHEMBL29386553 0.87 ALDH1A1 (1.00) KMT2AALDH1A1ATMLMNATSHR
Methyl Nicotinate SCHEMBL24566 0.87 ALDH1A1 (1.00) KMT2AALDH1A1ATMLMNATSHR
Methyl Nicotinate SCHEMBL820747 0.87 ALDH1A1 (1.00) KMT2AALDH1A1ATMLMNATSHR
SCHEMBL22014075 0.87 ALDH1A1 (0.73) KMT2AALDH1A1MAPTATMLMNA
Methyl Nicotinate SCHEMBL30541951 0.85 ALDH1A1 (0.96) KMT2AALDH1A1ATMLMNATSHR
Methyl Nicotinate SCHEMBL11491005 0.85 ALDH1A1 (0.96) KMT2AALDH1A1ATMLMNATSHR
Methyl Nicotinate SCHEMBL30668199 0.85 ALDH1A1 (0.96) KMT2AALDH1A1ATMLMNATSHR
Methyl Nicotinate SCHEMBL28370871 0.85 ALDH1A1 (0.96) KMT2AALDH1A1ATMLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2022-01-13 US disclosed
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2022-01-13 US disclosed
WO-2020100169-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2020-05-22 WO disclosed
WO-2020100169-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2020-05-22 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-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF PC, PCCA, GLS2 KMT2A 2224/4885ALDH1A1 255/4885MAPT 2840/4885

“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.