SCHEMBL6799248

SCHEMBL6799248

Cc1ccc(OCC(=O)O)c2c1cc(C(=O)NC(=N)N)n2C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 4/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
RORC P51449 1/20 0.35
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
APEX1 P27695 1/20 0.34
TP53 P04637 1/20 0.34
VDR P11473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6799475 0.89 TDP1 (0.43) KMT2ATDP1TSHRKDM4EPTGDR2
SCHEMBL6798113 0.87 RORC (0.36) KMT2ATDP1TSHRPTGDR2ITGB3
SCHEMBL6800597 0.87 FBP1 (0.35) KMT2ATSHRKDM4ESMN1; SMN2TP53
SCHEMBL6800780 0.83 PLA2G2A (0.34) KMT2ATSHRKDM4EITGB3ITGA2B
SCHEMBL6795754 0.82 KMT2A (0.34) KMT2AKDM4EITGB3ITGA2BSMN1; SMN2
SCHEMBL6798004 0.82 KMT2A (0.34) KMT2ATSHRKDM4ESMN1; SMN2TP53
SCHEMBL6795758 0.80 KMT2A (0.33) KMT2AKDM4ESMN1; SMN2TP53
SCHEMBL6795651 0.79 HPGD (0.41) KMT2ATDP1KDM4ERORCMEN1
SCHEMBL6804603 0.76 FBP1 (0.34) KMT2ATDP1KDM4ESMN1; SMN2TP53
SCHEMBL6799000 0.76 PGK1 (0.36) KMT2AKDM4EITGB3ITGA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6734205-B2 SODIUM CHANNEL MODERATORS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-05-11 US disclosed
US-20030018056-A1 Substituted guanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-01-23 US disclosed
EP-1238971-A1 SUBSTITUTED GUANIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-09-11 EP 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-20030018056-A1 Substituted guanidine derivatives SLC28A1, SLC7A1, ABCB11 KMT2A 1767/4885TDP1 1752/4885TSHR 1959/4885

“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.