SCHEMBL5870451

SCHEMBL5870451

CCCc1[nH]cnc1C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL5870589 0.75 CYP2C19 (0.65) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5870372 0.74 CYP2C19 (0.44) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6499135 0.74 CYP2C19 (0.44) ALDH1A1SMN1; SMN2KDM4EL3MBTL1GAA
Hydrochloric Acid SCHEMBL5869997 0.74 CYP2C19 (0.62) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5870382 0.74 ALDH1A1 (0.39) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5870375 0.71 SMN1; SMN2 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL5870445 0.70 KDM4E (0.58) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL22064481 0.70 USP2 (0.39) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2101530 0.68 LMNA (0.45) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14692540 0.67 CYP2C19 (0.57) ALDH1A1KDM4EHSD17B10CYP2C19

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 HPGD 2852/4885ALDH1A1 1509/4885KMT2A 4248/4885

“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.