SCHEMBL1160360

SCHEMBL1160360

Cc1cc(-c2ccc(Cl)cc2)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.66
ALPL P05186 2/20 0.54
CA12 O43570 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 3/20 0.53
ALK Q9UM73 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL2766145 0.83 RAB9A (0.71) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL24120010 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL2360295 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL792992 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL15908507 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL14097585 0.80 L3MBTL1 (0.92) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL4116250 0.79 L3MBTL1 (0.65) NPC1RAB9ASMN1; SMN2L3MBTL1ALK
SCHEMBL427627 0.79 L3MBTL1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL13363876 0.78 CYP1A2 (0.66) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL6263733 0.78 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
EP-3056207-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 EP disclosed
US-9221814-B2 Heterocyclic guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-12-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 US disclosed
US-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-05-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 US disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-7230116-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE, AG (DE) 2007-06-12 US disclosed
US-7230116-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE, AG (DE) 2007-06-12 US disclosed
US-7230116-B2 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE, AG (DE) 2007-06-12 US disclosed
EP-1440066-B1 PYRAZOLYL-SUBSTITUTED HETEROCYCLES AND THEIR USE AS PHYTOSANITARY PRODUCTS BAYER CROPSCIENCE AG (DE) 2007-03-07 EP disclosed
EP-1440066-B1 PYRAZOLYL-SUBSTITUTED HETEROCYCLES AND THEIR USE AS PHYTOSANITARY PRODUCTS BAYER CROPSCIENCE AG (DE) 2007-03-07 EP disclosed
CN-1630653-A Pyrazolyl-substituted heterocycles and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2005-06-22 CN disclosed
US-20040242664-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
EP-1440066-A1 PYRAZOLYL-SUBSTITUTED HETEROCYCLES AND THEIR USE AS PHYTOSANITARY PRODUCTS Bayer CropScience AG (DE) 2004-07-28 EP disclosed
WO-2003035643-A1 PYRAZOLYL-SUBSTITUTED HETEROCYCLES AND THEIR USE AS PHYTOSANITARY PRODUCTS BAYER CROPSCIENCE AG (DE) 2003-05-01 WO disclosed
EP-0945437-A1 Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides SDS Biotech K.K. (JP) 1999-09-29 EP 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 (5 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-20150148373-A1 HETEROCYCLIC GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NPC1 1827/4885RAB9A 448/4885SMN1; SMN2 3278/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA NPC1 2700/4885RAB9A 1231/4885SMN1; SMN2 3273/4885
US-20040242664-A1 Pyrazolyl-substituted heterocycles and their use as phytosanitary products CYP1A1, CYP1B1, CYP8B1 NPC1 3628/4885RAB9A 2000/4885SMN1; SMN2 4620/4885
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C NPC1 627/4885RAB9A 720/4885SMN1; SMN2 2421/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA NPC1 2700/4885RAB9A 1231/4885SMN1; SMN2 3273/4885

“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.