SCHEMBL2995354

SCHEMBL2995354

O=C(N[C@@H](CO)c1nc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CC=CC2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
APOBEC3A P31941 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MAPK1 P28482 7/20 0.39
MAPK3 P27361 3/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
PAK4 O96013 1/20 0.37
APLNR P35414 2/20 0.36
MAPK10 P53779 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL2995352 1.00 MEN1 (0.40) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL2999496 0.92 KMT2A (0.39) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL6532676 0.92 KMT2A (0.39) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL2993028 0.91 KMT2A (0.37) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL2993026 0.91 KMT2A (0.37) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL3001219 0.91 KMT2A (0.39) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL3005200 0.91 APLNR (0.44) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL3000096 0.90 MEN1 (0.39) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL3000082 0.89 ROCK2 (0.39) MEN1KMT2AMAPTHTTCRHBP
SCHEMBL5103717 0.88 TDP1 (0.47) MEN1KMT2AALDH1A1ALOX12APOBEC3A

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 13 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-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US claimed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US claimed
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 MEN1 1667/4885KMT2A 3087/4885MAPT 418/4885
US-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 MEN1 2079/4885KMT2A 3608/4885MAPT 4669/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI MEN1 1649/4885KMT2A 3592/4885MAPT 4661/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 MEN1 4422/4885KMT2A 4723/4885MAPT 4554/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 MEN1 4422/4885KMT2A 4723/4885MAPT 4554/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 MEN1 1638/4885KMT2A 3716/4885MAPT 1399/4885

“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.