SCHEMBL3034901

SCHEMBL3034901

C[N+]1([O-])CCc2ccc(NC(=O)C3(NC(=O)c4ccc(Cl)s4)CCCC3)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.41
NPC1 O15118 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NFKB1 P19838 5/20 0.41
NFKB2 Q00653 5/20 0.41
RELA Q04206 5/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 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
SCHEMBL8252698 0.93 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3034903 0.92 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2566797 0.86 KMT2A (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2572741 0.85 KMT2A (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2569968 0.85 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2568137 0.84 KMT2A (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3029677 0.82 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3028089 0.81 KMT2A (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3036059 0.80 MEN1 (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3036061 0.79 KMT2A (0.39) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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 (3 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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT RAB9A 2929/4885NPC1 2779/4885SMN1; SMN2 3359/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 RAB9A 3204/4885NPC1 2812/4885SMN1; SMN2 3286/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 RAB9A 3204/4885NPC1 2812/4885SMN1; SMN2 3286/4885

“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.