SCHEMBL449770

SCHEMBL449770

[CH]1Nc2ccccc2CS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
NPC1 O15118 6/20 0.34
RAB9A P51151 5/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34

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
SCHEMBL7344776 0.70 PLAU (0.39) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL3489535 0.67
SCHEMBL7178792 0.64 TSHR (0.38) HTR2C
SCHEMBL30271877 0.64 ALOX15 (0.43) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL4505185 0.64 ALOX15 (0.43) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL19677 0.64
SCHEMBL449771 0.62 NPC1 (0.33) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL11710281 0.61 NPC1 (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3617984 0.61 MEN1 (0.47) PLAUNPC1RAB9AMAPTMEN1
SCHEMBL9701046 0.61 AHR (0.50) NPC1RAB9AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902723-B2 Pyrazole derivative manufacturing method MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2018-02-27 US disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20170210740-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-07-27 US disclosed
EP-3176168-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD Mochida Pharmaceutical Co., Ltd. (JP) 2017-06-07 EP disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (8 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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20170210740-A1 PYRAZOLE DERIVATIVE MANUFACTURING METHOD CYP3A5, CYP3A7, CYP3A4 PLAU 2935/4885NPC1 2660/4885RAB9A 1723/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20150132327-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A PLAU 2806/4885NPC1 2151/4885RAB9A 232/4885
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH PLAU 4572/4885NPC1 1869/4885RAB9A 3819/4885

“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.