SCHEMBL6979237

SCHEMBL6979237

O=CNc1ccc2ncsc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
RAB9A P51151 10/20 0.47
KDM4E B2RXH2 2/20 0.47
HKDC1 Q2TB90 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
GFER P55789 1/20 0.44
USP30 Q70CQ3 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
SYK P43405 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
LRRK2 Q5S007 1/20 0.42
OTUD7B Q6GQQ9 1/20 0.42
DYRK1A Q13627 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1013939 0.86 HSD11B1 (0.50) SMN1; SMN2ALDH1A1NPSR1HSD17B10NAMPT
SCHEMBL616687 0.77 IRAK4 (0.51) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL20311432 0.77 SYK (0.49) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL5564384 0.77 DYRK1A (0.49) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL20195813 0.77 NPC1 (0.47) NPC1RAB9AKDM4EHKDC1TDP1
Hydrochloric Acid SCHEMBL20856726 0.75 DYRK1A (0.47) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL22341606 0.75 NPC1 (0.58) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL27174602 0.74 NPC1 (0.49) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL3762091 0.73 ALDH1A1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL8863163 0.73 LDHA (0.57) NPC1RAB9AKDM4EHKDC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
US-5827866-A ANTICOAGULANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 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 (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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885KDM4E 1653/4885

“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.