SCHEMBL3558775

SCHEMBL3558775

Clc1nc(-n2ccnc2)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDO1 P14902 3/20 0.40
TSHR P16473 2/20 0.39
CD38 P28907 2/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOS2 P35228 3/20 0.37
PDE5A O76074 2/20 0.36
NOS1 P29475 2/20 0.36

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
SCHEMBL13037127 0.79 LMNA (0.42) NOTUMLMNATDP1MEN1USP2
SCHEMBL14755458 0.78 MAPT (0.38) MEN1KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL9025866 0.74 LMNA (0.67) NOTUMLMNATDP1MEN1USP2
Hydrazine SCHEMBL3559520 0.73 TSHR (0.38) LMNATDP1MEN1USP2KMT2A
SCHEMBL3557965 0.73 CYP3A4 (0.46) LMNATDP1MEN1USP2KMT2A
SCHEMBL5192452 0.72 NPSR1 (0.50) NOTUMLMNATDP1MEN1USP2
SCHEMBL24220264 0.69 NOTUM (0.48) NOTUMLMNATDP1MEN1USP2
SCHEMBL16923131 0.69 NPSR1 (0.56) NOTUMLMNATDP1MEN1USP2
SCHEMBL13037158 0.69 NOS2 (0.54) TSHRCYP3A4CYP1A2CYP2D6MAPK1
Hydrazine SCHEMBL3567840 0.69 TSHR (0.37) LMNATDP1MEN1USP2KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 WO disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2010-04-15 US disclosed
US-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2010-04-15 US disclosed
US-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2010-04-15 US disclosed
US-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2010-04-15 US disclosed
EP-1954695-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES Kalypsys, Inc. (US) 2008-08-13 EP disclosed
EP-1954695-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES Kalypsys, Inc. (US) 2008-08-13 EP disclosed
WO-2007076460-A2 SUBSTITUTED THIAZOLE UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
WO-2007062411-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2007062411-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 WO disclosed
WO-2007062411-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5-YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 WO disclosed
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 US disclosed
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 US disclosed
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 US disclosed
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES KALYPSYS, INC. (US) 2007-05-31 US disclosed
WO-2006060424-A2 INDUCIBLE NITRIC OXIDE SYNTHASE DIMERIZATION INHIBITORS KALYPSYS, INC. (US) 2006-06-08 WO disclosed
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 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-20100094021-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES DCLK2, TH, DCLK3 NOTUM 3199/4885LMNA 2926/4885TDP1 528/4885
US-20070123572-A1 NOVEL METHOD OF PREPARATION OF 5-CHLORO-3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOLE AND (3-IMIDAZOL-1-YL-[1,2,4]THIADIAZOL-5YL)-DIALKYL-AMINES DCLK2, TH, DCLK3 NOTUM 3199/4885LMNA 2926/4885TDP1 528/4885
US-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOTUM 1020/4885LMNA 4743/4885TDP1 3765/4885

“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.