SCHEMBL4465867

SCHEMBL4465867

CCCCCCN(C#N)C(=N)N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
DNM1 Q05193 3/20 0.37
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GBA1 P04062 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL1937984 1.00 SPHK2 (0.42) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL1937313 1.00 SPHK2 (0.42) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL1938682 1.00 SPHK2 (0.42) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL1937656 1.00 SPHK2 (0.42) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL1205488 0.98 SPHK2 (0.39) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL8070978 0.96 SPHK2 (0.38) SPHK2SPHK1DNM1ZDHHC20ZDHHC2
SCHEMBL20361795 0.92 GRIN2D (0.37) SPHK2SPHK1NOS3NOS1NOS2
SCHEMBL1505132 0.90
SCHEMBL19371464 0.84
SCHEMBL9238513 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117379391-A Compositions and methods of treatment 蓝莓疗法有限公司 2024-01-12 CN disclosed
CN-117017925-A Compositions and methods of treatment 蓝莓疗法有限公司 2023-11-10 CN disclosed
CN-111808886-B In vitro or ex vivo methods for promoting the entry of an introduced agent into a cell 泰克里亚有限公司 2023-10-13 CN disclosed
CN-111808886-A In vitro or ex vivo methods for promoting the entry of introduced agents into cells 泰克里亚有限公司 2020-10-23 CN disclosed
CN-103957942-B Method of producing a composite material 皇家兽医学院 2020-05-22 CN disclosed
CN-105377250-B Compositions and methods for combating antibacterial resistant bacteria 蓝莓疗法有限公司 2020-04-03 CN disclosed
CN-105579028-B Antifungal topical compositions and methods of treatment 蓝莓疗法有限公司 2020-03-20 CN disclosed
CN-102993057-B Synthesis method of 1,6-bis(cyano-guanidino) hexane GANSU RES INST OF CHEMICAL INDUSTRY 2014-09-17 CN disclosed
CN-102993057-A Synthesis method of 1,6-bis(cyano-guanidino) hexane GANSU RES INST OF CHEMICAL INDUSTRY 2013-03-27 CN disclosed
EP-1574503-B1 2,4-Diamino-1,3,5-triazine derivative HAMARI CHEMICALS LTD (JP) 2013-03-13 EP disclosed
US-7622469-B2 2,4-diamino-1,3,5-triazine derivatives HAMARI CHEMICALS, LTD. (JP) 2009-11-24 US disclosed
US-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative HAMARI CHEMICALS, LTD. (JP) 2006-07-13 US disclosed
EP-1574503-A1 NOVEL 2,4-DIAMINO-1,3,5-TRIAZINE DERIVATIVE Hamari Chemicals Co., Ltd. (JP) 2005-09-14 EP disclosed
US-6916958-B2 Aminobiguanides and the use thereof to disinfect contact lenses and preserve pharmaceutical compositions ALCON MANUFACTURING, LTD. (US) 2005-07-12 US disclosed
EP-1042007-B1 AMINOBIGUANIDES AND THE USE THEREOF TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS ALCON LAB INC (US) 2004-08-11 EP disclosed
US-20040063791-A1 Aminobiguanides and the use thereof to disinfect contact lenses and preserve pharmaceutical compositions ALCON RESEARCH, LTD. 2004-04-01 US disclosed
US-6664294-B1 Compounds which have excellent antimicrobial activity, even at very low concentrations, and which is retained in presence of salt-containing media, such as saline solutions ALCON MANUFACTURING, LTD. 2003-12-16 US disclosed
EP-1042007-A2 AMINOBIGUANIDES AND THE USE THEREOF TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS Alcon Laboratories, Inc. (US) 2000-10-11 EP disclosed
WO-1999032158-A2 AMINOBIGUANIDES TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS ALCON LABORATORIES, INC. (US) 1999-07-01 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-20060154928-A1 Novel 2,4-diamino-1,3,5-triazine derivative DAZAP1, DCUN1D5, TLR5 SPHK2 3230/4885SPHK1 3530/4885DNM1 1145/4885
US-20040063791-A1 Aminobiguanides and the use thereof to disinfect contact lenses and preserve pharmaceutical compositions AASDHPPT, ALAD, AAAS SPHK2 4571/4885SPHK1 4522/4885DNM1 2778/4885

“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.