SCHEMBL21963595

SCHEMBL21963595

COC(=O)c1cc(O)cc(OC(=O)c2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 11/20 0.60
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.54
ATM Q13315 1/20 0.53
CYP1A2 P05177 4/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL22014075 0.92 ALDH1A1 (0.73) ALDH1A1KMT2ATHRBHSD17B10ATM
SCHEMBL321816 0.83 TSHR (0.59) ALDH1A1KMT2ATSHRLMNAMAPT
SCHEMBL21963567 0.82 KMT2A (0.78) ALDH1A1KMT2ATHRBATMCYP1A2
SCHEMBL21963581 0.82 KMT2A (0.72) ALDH1A1KMT2ATHRBHSD17B10ATM
Methyl Nicotinate SCHEMBL28918156 0.81 ALDH1A1 (0.93) ALDH1A1KMT2AHSD17B10ATMTSHR
Methyl Nicotinate SCHEMBL24566 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10ATMTSHR
Methyl Nicotinate SCHEMBL820747 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10ATMTSHR
Methyl Nicotinate SCHEMBL29386553 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AHSD17B10ATMTSHR
Methyl Nicotinate SCHEMBL11491005 0.80 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10ATMTSHR
Methyl Nicotinate SCHEMBL30541951 0.80 ALDH1A1 (0.96) ALDH1A1KMT2AHSD17B10ATMTSHR

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 ALDH1A1 255/4885KMT2A 2224/4885THRB 3257/4885

“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.