SCHEMBL6350737

SCHEMBL6350737

CCOP(=O)(OCC)C(C)N(CCCl)C(=O)NN=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSR P00390 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6350740 0.79 MEN1 (0.31) MEN1ABCB11ALDH1A1GSRTSHR
Nimustine SCHEMBL6912494 0.76 BLM (0.67) MEN1ABCB11ALDH1A1GSRTSHR
SCHEMBL8048766 0.74 PPARD (0.38) GAACYP2C9CYP2C19MEN1TSHR
Fotemustine SCHEMBL8881 0.73 ALDH1A1 (0.44) GAACYP3A4CYP2C9CYP2C19MEN1
Fotemustine SCHEMBL8880 0.73 ALDH1A1 (0.44) GAACYP3A4CYP2C9CYP2C19MEN1
Fotemustine SCHEMBL16174560 0.73 ALDH1A1 (0.44) GAACYP3A4CYP2C9CYP2C19MEN1
SCHEMBL11121024 0.72 ALDH1A1 (0.38) MEN1ABCB11ALDH1A1GSRTSHR
Fotemustine SCHEMBL7206688 0.72 ALDH1A1 (0.43) GAACYP3A4CYP2C9CYP2C19MEN1
SCHEMBL10893811 0.71 ALDH1A1 (0.42) GAACYP3A4CYP2C9CYP2C19MEN1
Fotemustine SCHEMBL3982212 0.71 ALDH1A1 (0.42) GAACYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838469-B2 Pharmaceutical composition that exhibits reduced side-effects comprising O-(3-piperidino-2-hydroxy-1-propyl)nicotinic acid amidoxime and a pyrimidine derivative with known antitumor activity N-GENE RESEARCH LABORATORIES INC. (US) 2005-01-04 US disclosed
US-6720337-B2 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroxlmic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2004-04-13 US disclosed
US-6656955-B2 Side effect reduction; synergistic mixture N-GENE RESEARCH LABORATORIES, INC. 2003-12-02 US disclosed
EP-0993304-B1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N GENE RES LAB INC (US) 2003-04-02 EP disclosed
US-20030050345-A1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2003-03-13 US disclosed
US-6440998-B1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative N-GENE RESEARCH LABORATORIES, INC. 2002-08-27 US disclosed
EP-0993304-A1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N-Gene Research Laboratories Inc. (US) 2000-04-19 EP disclosed
WO-1998058676-A1 PHARMACEUTICAL COMPOSITION HAVING ENHANCED ANTITUMOR ACTIVITY AND/OR REDUCED SIDE EFFECTS, CONTAINING AN ANTITUMOR AGENT AND AN HYDROXAMIC ACID DERIVATIVE N-GENE RESEARCH LABORATORIES INC. (US) 1998-12-30 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-20030050345-A1 Pharmaceutical composition having enhanced antitumor activity and/or reduced side effects, containing an antitumor agent and an hydroximic acid derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDGF, CA7 GAA 98/4885CYP3A4 1857/4885CYP2C9 1529/4885

“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.