SCHEMBL22014585

SCHEMBL22014585

O=C(OCc1ccccc1)c1cc(OC(=O)c2cccnc2)cc(OC(=O)c2cccnc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.78
TDP1 Q9NUW8 3/20 0.78
LMNA P02545 3/20 0.78
SMN1; SMN2 Q16637 1/20 0.56
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TSHR P16473 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 1/20 0.52
GFER P55789 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC1 Q13547 1/20 0.52
ATM Q13315 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPK1 P28482 1/20 0.50
MAPT P10636 2/20 0.49

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
SCHEMBL21963581 0.94 KMT2A (0.72) KMT2ATDP1LMNASMN1; SMN2SLC6A2
SCHEMBL21963602 0.89 KMT2A (0.80) KMT2ATDP1LMNASMN1; SMN2SLC6A2
Benzyl Nicotinate SCHEMBL24600 0.88 LMNA (1.00) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL29394048 0.88 LMNA (1.00) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL29080664 0.87 LMNA (0.97) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL28041943 0.87 LMNA (0.97) KMT2ATDP1LMNASLC6A2SLC6A3
Benzyl Nicotinate SCHEMBL30432197 0.84 TDP1 (0.91) KMT2ATDP1LMNASLC6A2SLC6A3
SCHEMBL21963617 0.83 LMNA (0.70) KMT2ATDP1LMNASMN1; SMN2SLC6A2
SCHEMBL22015262 0.83 KMT2A (0.74) KMT2ATDP1LMNASMN1; SMN2SLC6A2
SCHEMBL21963579 0.82 KMT2A (0.69) KMT2ATDP1LMNASMN1; SMN2SLC6A2

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 2 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
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 2224/4885TDP1 4115/4885LMNA 3457/4885

“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.