SCHEMBL3750019

SCHEMBL3750019

COC(=O)c1ccnc(N2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
PIK3CA P42336 2/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4C Q9H3R0 2/20 0.54
KDM6B O15054 1/20 0.54
KDM5C P41229 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KDM3A Q9Y4C1 1/20 0.54
JMJD6 Q6NYC1 1/20 0.51
KDM5A P29375 3/20 0.51
KDM5B Q9UGL1 3/20 0.51
PROKR1 Q8TCW9 2/20 0.50
HRH4 Q9H3N8 1/20 0.48
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL17843238 0.86 HRH3 (0.54) HRH3PIK3CAKDM4ENPC1RAB9A
SCHEMBL1021177 0.86 HRH3 (0.54) HRH3PIK3CAKDM4EKDM4CKDM6B
SCHEMBL31704530 0.86 PIK3CA (0.74) HRH3PIK3CAKDM4ERAB9AKDM4C
SCHEMBL1516978 0.86 PIK3CA (0.74) HRH3PIK3CAKDM4ERAB9AKDM4C
Hydrochloric Acid SCHEMBL23630502 0.85 HRH3 (0.53) HRH3PIK3CAKDM4EKDM4CKDM6B
SCHEMBL23630488 0.85 HRH3 (0.58) HRH3PIK3CAKDM4ENPC1RAB9A
SCHEMBL5929302 0.83 PIK3CA (0.54) HRH3PIK3CAKDM4ENPC1RAB9A
SCHEMBL2028882 0.83 PIK3CA (0.57) HRH3PIK3CAKDM4ENPC1RAB9A
SCHEMBL12640115 0.83 PIK3CA (0.54) PIK3CAPROKR1HRH4PRKD3PRKD1
SCHEMBL18079682 0.83 HRH3 (0.53) HRH3PIK3CAKDM4ESMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
US-7838522-B2 Benzothiazole formulations and use thereof ARES TRADING S.A. (CH) 2010-11-23 US disclosed
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 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 (1 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 HRH3 2969/4885PIK3CA 2891/4885KDM4E 1425/4885

“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.