SCHEMBL5870140

SCHEMBL5870140

CCCc1[nH]cnc1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL5870304 0.81 ALDH1A1 (0.44) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL5870396 0.79 KMT2A (0.48) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5870375 0.75 SMN1; SMN2 (0.42) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL5870372 0.72 CYP2C19 (0.44) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL11537614 0.70 ALDH1A1 (0.50) KMT2AALDH1A1THRBKDM4ESMN1; SMN2
SCHEMBL5870589 0.70 CYP2C19 (0.65) KMT2AALDH1A1GAAL3MBTL1KDM4E
SCHEMBL29328527 0.70 KMT2A (0.52) KMT2AALDH1A1L3MBTL1THRBKDM4E
SCHEMBL13373328 0.69 POLB (0.63) KMT2AALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6499135 0.69 CYP2C19 (0.44) ALDH1A1GAAL3MBTL1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL5869997 0.69 CYP2C19 (0.62) KMT2AALDH1A1GAAL3MBTL1KDM4E

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-7078528-B2 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY (US) 2006-07-18 US disclosed
US-20050004370-A1 Biimidazole diamide anion binding agents EAST CAROLINA UNIVERSITY 2005-01-06 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-20050004370-A1 Biimidazole diamide anion binding agents ABCG2, BRI3BP, SLCO1B3 KMT2A 4248/4885ALDH1A1 1509/4885GAA 1417/4885

“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.