SCHEMBL4124298

SCHEMBL4124298

CCc1nnc(NC2CCNCC2)c2cc(OC)cc(OC)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.44
EHMT2 Q96KQ7 3/20 0.43
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
JUND P17535 1/20 0.42
FOSB P53539 1/20 0.42
CYP1A2 P05177 4/20 0.41
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CYP2C19 P33261 3/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4125530 0.82 CYP1A2 (0.47) NSD2EHMT2KDM1ARCOR1CYP1A2
SCHEMBL4843684 0.76 EHMT2 (0.54) NSD2EHMT2KDM1ARCOR1
SCHEMBL4723403 0.76 NSD2 (0.44) NSD2EHMT2KDM1ARCOR1EHMT1
Hydrochloric Acid SCHEMBL4140395 0.75 NSD2 (0.43) NSD2EHMT2KDM1ARCOR1EHMT1
SCHEMBL4129671 0.74 CYP1A2 (0.47) NSD2EHMT2KDM1ARCOR1CYP1A2
SCHEMBL27666071 0.71 EHMT2 (0.48) NSD2EHMT2KDM1AJUNDFOSB
SCHEMBL4130101 0.71 CYP1A2 (0.50) NSD2CYP1A2HSD17B10ALDH1A1LMNA
SCHEMBL4133994 0.70 DPP4 (0.41) HSD17B10ALDH1A1LMNACYP3A4MAPK1
SCHEMBL4125139 0.70 CYP1A2 (0.47) NSD2CYP1A2HSD17B10ALDH1A1LMNA
SCHEMBL4134746 0.68 CYP1A2 (0.53) NSD2EHMT2KDM1ARCOR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
US-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-05-14 US disclosed
EP-2024376-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-02-18 EP disclosed
WO-2007139729-A1 NOVEL SULFONAMIDOMETHYLPHOSPHONATE INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2007-12-06 WO disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 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-20090124624-A1 SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF AGTR1, AGTR2, AHR NSD2 1088/4885EHMT2 993/4885KDM1A 982/4885

“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.