SCHEMBL3000268

SCHEMBL3000268

CSCCC(Nc1ncnc2cc(C(=O)N3CCCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
APOBEC3A P31941 1/20 0.42
KMT2A Q03164 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
FPR1 P21462 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3000269 1.00 ALDH1A1 (0.44) ALDH1A1LMNANPSR1MEN1ALOX12
SCHEMBL2992121 0.93 ALDH1A1 (0.44) ALDH1A1LMNANPSR1MEN1ALOX12
SCHEMBL2992118 0.93 ALDH1A1 (0.44) ALDH1A1LMNANPSR1MEN1ALOX12
SCHEMBL3000004 0.90 CNR1 (0.37) MAPK10HRH4HRH3
SCHEMBL2996587 0.90 CNR1 (0.37) MAPK10HRH4HRH3
SCHEMBL3003491 0.89 HRH4 (0.35) ALDH1A1LMNANPSR1MEN1ALOX12
SCHEMBL3000764 0.89 HRH4 (0.35) ALDH1A1LMNAMAPK10HRH4HRH3
SCHEMBL3000765 0.89 HRH4 (0.35) ALDH1A1LMNAMAPK10HRH4HRH3
SCHEMBL3003494 0.89 HRH4 (0.35) ALDH1A1LMNANPSR1MEN1ALOX12
SCHEMBL4140985 0.89 HRH4 (0.38) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US claimed
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US disclosed
US-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors EISERT WOLFGANG 2009-02-19 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (6 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-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 ALDH1A1 3876/4885LMNA 3758/4885NPSR1 1890/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI ALDH1A1 1111/4885LMNA 2418/4885NPSR1 1408/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 ALDH1A1 4552/4885LMNA 2540/4885NPSR1 1140/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 ALDH1A1 2355/4885LMNA 774/4885NPSR1 358/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 ALDH1A1 4552/4885LMNA 2540/4885NPSR1 1140/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 ALDH1A1 3364/4885LMNA 323/4885NPSR1 268/4885

“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.