SCHEMBL6421736

SCHEMBL6421736

NCc1ccc(-c2ccc(C(=O)O)cc2)cc1.O=C(NCc1ccc(-c2ccc(C(=O)O)cc2)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHX2 P34913 3/20 0.48
NR1H4 Q96RI1 2/20 0.48
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
BACE1 P56817 2/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
CASP3 P42574 1/20 0.40
BCHE P06276 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
SCHEMBL1855193 0.94 EPHX2 (0.53) KMT2AEPHX2NR1H4HDAC1HDAC2
SCHEMBL118108 0.91 KMT2A (0.56) KMT2AEPHX2NR1H4CASP3
SCHEMBL29402075 0.91 KMT2A (0.56) KMT2AEPHX2NR1H4CASP3
SCHEMBL29678978 0.91 KMT2A (0.56) KMT2AEPHX2NR1H4CASP3
SCHEMBL14485271 0.90 KMT2A (0.59) KMT2AEPHX2CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL14485267 0.89 KMT2A (0.57) KMT2AEPHX2CYP1A2CYP2D6CYP2C9
SCHEMBL1855344 0.87 EPHX2 (0.53) KMT2AEPHX2NR1H4HDAC1HDAC2
Benzoic Acid SCHEMBL27028192 0.86 KMT2A (0.56) KMT2AEPHX2CASP3BCHE
SCHEMBL15948331 0.83 KMT2A (0.53) KMT2AEPHX2NR1H4HDAC1HDAC2
SCHEMBL3177417 0.83 KMT2A (0.62) KMT2AEPHX2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 KMT2A 740/4885EPHX2 2771/4885NR1H4 1543/4885

“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.