SCHEMBL1831741

SCHEMBL1831741

N=C(N)NCCNCCNC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
ALOX15 P16050 2/20 0.39
CA5B Q9Y2D0 3/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA3 P07451 2/20 0.35
CA5A P35218 2/20 0.35
CA12 O43570 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35

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 SCHEMBL11409435 0.97 MEN1 (0.41) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL3079040 0.90 CYP1A2 (0.48) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL16322423 0.89 MEN1 (0.38) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL15295706 0.87 PAOX (0.39) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL11403921 0.87 MEN1 (0.46) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL20362859 0.84
SCHEMBL5497332 0.82 MEN1 (0.50) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL12568688 0.82 MEN1 (0.37) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
SCHEMBL12568685 0.82 MEN1 (0.37) MEN1KMT2ACYP1A2SMN1; SMN2TSHR
Iminoctadiene SCHEMBL15757560 0.80 CYP1A2 (0.59) MEN1KMT2ACYP1A2SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753457-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO., Ltd. (IL) 2007-02-21 EP claimed
WO-2005120573-A2 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-12-22 WO claimed
CN-114642735-A Methods, compositions and systems for delivering therapeutic and diagnostic agents into cells 菲泽尔克斯公司 2022-06-21 CN disclosed
US-20210330792-A1 (BACTERIO)CHLOROPHYLL PHOTOSENSITIZERS FOR TREATMENT OF EYE DISEASES AND DISORDERS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2021-10-28 US disclosed
EP-3461811-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M Innovative Properties Co. (US) 2019-04-03 EP disclosed
US-10239828-B2 Process for preparing guanidino-functional monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-03-26 US disclosed
EP-3010883-B1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2019-02-20 EP disclosed
US-20170183299-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-06-29 US disclosed
US-9670149-B2 Process for preparing guanidino-functional monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-06 US disclosed
EP-1753457-B1 CATIONIC BACTERIOCHLOROPHYLL DERIVATIVES AND USES THEREOF YEDA RES & DEV (IL) 2016-08-10 EP disclosed
US-9339037-B2 Synergistic fungicidal active combinations BAYER CROPSCIENCE AG (DE) 2016-05-17 US disclosed
EP-1251827-B1 NASALLY ADMINISTRABLE ANTIFUNGAL CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2004-05-26 EP disclosed
US-6489440-B1 Cyclic compounds BASILEA PHARMACEUTICA AG (CH) 2002-12-03 US disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
US-20010038824-A1 Intranasal cyclic peptide formulations BASILEA PHARMACEUTICA AG (CH) 2001-11-08 US disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 WO disclosed
US-4226852-A ALKALINITY, AMMONIA-FREE, GUANIDINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1980-10-07 US disclosed
US-4186186-A Guanidine accelerators for peroxide hair bleaching compositions HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1980-01-29 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 (4 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-20210330792-A1 (BACTERIO)CHLOROPHYLL PHOTOSENSITIZERS FOR TREATMENT OF EYE DISEASES AND DISORDERS PPOX, PPIB, PPIA MEN1 3718/4885KMT2A 4216/4885CYP1A2 4476/4885
US-10239828-B2 Process for preparing guanidino-functional monomers GMPS, GUCY1B2, GUCY1A1 MEN1 2441/4885KMT2A 2418/4885CYP1A2 815/4885
US-20170183299-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS GMPS, GUCY1B2, GUCY1A1 MEN1 2441/4885KMT2A 2418/4885CYP1A2 815/4885
US-20010038824-A1 Intranasal cyclic peptide formulations VIP, NPPA, SSTR5 MEN1 170/4885KMT2A 4834/4885CYP1A2 4656/4885

“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.