SCHEMBL1028065

SCHEMBL1028065

NC(=O)c1ccc(-c2csnn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
KMT2A Q03164 5/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NOTUM Q6P988 1/20 0.55
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
MDM2 Q00987 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.48
AGTR1 P30556 1/20 0.48
MAP4K4 O95819 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
Hydrochloric Acid SCHEMBL5008268 0.98 MAPT (0.61) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL399793 0.84 RAB9A (0.61) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL1021624 0.82 MAPT (0.55) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL3502303 0.82 MAPT (0.62) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL3882889 0.82 MAPT (0.55) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL28763345 0.81 NPC1 (0.50) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL19900671 0.80 KMT2A (0.78) MAPTKDM4ENPC1RAB9AKMT2A
Urea SCHEMBL27838630 0.80 KMT2A (0.72) MAPTKDM4ENPC1RAB9AKMT2A
Carbamic Acid SCHEMBL2320520 0.80 KMT2A (0.72) MAPTKDM4ENPC1RAB9AKMT2A
SCHEMBL16697505 0.79 MAPT (0.63) MAPTKDM4ENPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 EP claimed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 WO claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 WO claimed
EP-2945929-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS Merck Patent GmbH (DE) 2015-11-25 EP disclosed
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 WO disclosed
US-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them ROSSI CRISTINA 2008-08-28 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1868997-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Menarini International Operations Luxembourg S.A. (LU) 2007-12-26 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
WO-2006097460-A1 HYDROXAMATES AS HISTONE DEACETYLASE INHIBITORS AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2006-09-21 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 (2 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-20080207694-A1 Hydroxamates as Histone Deacetylase Inhibitors and Pharmaceutical Formulations Containing Them HDAC1, HDAC8, HDAC9 MAPT 791/4885KDM4E 183/4885NPC1 1193/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL MAPT 4621/4885KDM4E 3446/4885NPC1 2838/4885

“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.