SCHEMBL1704979

SCHEMBL1704979

c1ccc2[nH]c(SCCN3CCNCC3)nc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.74
GRIN2A Q12879 2/20 0.65
GRIN2B Q13224 2/20 0.65
BCHE P06276 1/20 0.63
TNKS O95271 1/20 0.57
PARP1 P09874 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
PARP2 Q9UGN5 1/20 0.57
EPHX2 P34913 1/20 0.57
GRIN2C Q14957 1/20 0.57
AR P10275 3/20 0.56
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
SOAT1 P35610 1/20 0.53
POLB P06746 1/20 0.53
BRD2 P25440 1/20 0.53
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 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
Hydrochloric Acid SCHEMBL1704951 0.99 RAB9A (0.73) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL4508692 0.93 RAB9A (0.65) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL9512664 0.89 RAB9A (0.78) RAB9AGRIN2AGRIN2BBCHETNKS
Trifluoroacetic Acid SCHEMBL6282185 0.89 RAB9A (0.60) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL9513272 0.88 RAB9A (0.76) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL9514091 0.86 RAB9A (0.74) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL9514685 0.85 RAB9A (1.00) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL13617010 0.85 RAB9A (0.73) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL4500584 0.85 RAB9A (0.56) RAB9AGRIN2AGRIN2BBCHETNKS
SCHEMBL4500580 0.84 RAB9A (0.55) RAB9AGRIN2AGRIN2BBCHETNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460065-B1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF KOWA CO (JP) 2012-12-05 EP claimed
EP-1566381-B1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2009-11-11 EP claimed
US-7214796-B2 Process for production of 1-[2-(benzimidazol-2-yl-thio)ethyl]piperazine or salts thereof KOWA CO., LTD. (JP) 2007-05-08 US claimed
US-6998486-B2 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2006-02-14 US claimed
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2005-02-10 US claimed
EP-1460065-A1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF Kowa Co., Ltd. (JP) 2004-09-22 EP claimed
US-12540943-B2 Use of Acyl coenzyme A: cholesterol acyltransferase-1 in diagnosis and treatment of liver cancer ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2026-02-03 US disclosed
EP-1460065-B1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF KOWA CO (JP) 2012-12-05 EP disclosed
EP-1460065-B1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF KOWA CO (JP) 2012-12-05 EP disclosed
EP-1598346-B1 PROCESS FOR PRODUCING ACID ADDUCT SALT OF POLYACIDIC BASE COMPOUND KOWA CO (JP) 2012-04-18 EP disclosed
EP-1566381-B1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2009-11-11 EP disclosed
EP-1566381-B1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2009-11-11 EP disclosed
EP-1566381-B1 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2009-11-11 EP disclosed
US-7214796-B2 Process for production of 1-[2-(benzimidazol-2-yl-thio)ethyl]piperazine or salts thereof KOWA CO., LTD. (JP) 2007-05-08 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
EP-1566381-A4 PROCESS FOR PRODUCTION OF 1- 2-(BENZIMIDAZOL-2-YL- THIO)ETHYL |PIPERAZINE OR SALTS THEREOF KOWA CO (JP) 2006-11-02 EP disclosed
US-6998486-B2 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2006-02-14 US disclosed
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2005-02-10 US disclosed
EP-1460065-A1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF Kowa Co., Ltd. (JP) 2004-09-22 EP disclosed
WO-2004048342-A1 PROCESS FOR PRODUCTION OF 1-[2-(BENZIMIDAZOL-2-YL- THIO)ETHYL]PIPERAZINE OR SALTS THEREOF KOWA CO., LTD. (JP) 2004-06-10 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 (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-12540943-B2 Use of Acyl coenzyme A: cholesterol acyltransferase-1 in diagnosis and treatment of liver cancer ACAT2, FABP1, SOAT1 RAB9A 3309/4885GRIN2A 4173/4885GRIN2B 4741/4885
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof SRM, DDC, QDPR RAB9A 2190/4885GRIN2A 2702/4885GRIN2B 2203/4885

“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.