SCHEMBL21963593

SCHEMBL21963593

O=C(OCc1ccccc1)c1ccc(OCc2ccccc2)c(OC(=O)c2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.69
KMT2A Q03164 4/20 0.69
TDP1 Q9NUW8 3/20 0.69
ALDH1A1 P00352 4/20 0.55
THRB P10828 1/20 0.55
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 1/20 0.50
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HTT P42858 3/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.46
LRRK2 Q5S007 1/20 0.46
SMPD1 P17405 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL21963604 0.96 LMNA (0.69) LMNAKMT2ATDP1ALDH1A1THRB
SCHEMBL22015262 0.94 KMT2A (0.74) LMNAKMT2ATDP1ALDH1A1THRB
SCHEMBL21963620 0.88 KMT2A (0.67) LMNAKMT2ATDP1ALDH1A1TSHR
SCHEMBL22015263 0.88 KMT2A (0.70) LMNAKMT2ATDP1ALDH1A1THRB
SCHEMBL21963617 0.88 LMNA (0.70) LMNAKMT2ATDP1ALDH1A1THRB
SCHEMBL24195859 0.86 ALDH1A1 (0.56) LMNAKMT2ATDP1ALDH1A1THRB
SCHEMBL21963616 0.84 LMNA (0.65) LMNAKMT2ATDP1ALDH1A1THRB
Benzyl Nicotinate SCHEMBL24600 0.83 LMNA (1.00) LMNAKMT2ATDP1ALDH1A1TSHR
Benzyl Nicotinate SCHEMBL29394048 0.83 LMNA (1.00) LMNAKMT2ATDP1ALDH1A1TSHR
SCHEMBL3960907 0.82 KMT2A (0.62) LMNAKMT2ATDP1ALDH1A1THRB

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 LMNA 3457/4885KMT2A 2224/4885TDP1 4115/4885

“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.