SCHEMBL9843530

SCHEMBL9843530

N=C(N)NC(=N)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
ALOX12 P18054 2/20 0.47
PPARG P37231 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
EPHX2 P34913 4/20 0.46
LMNA P02545 3/20 0.45
MAPK1 P28482 1/20 0.45
NLRP1 Q9C000 1/20 0.45
TSHR P16473 1/20 0.45
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL972321 0.87 HTT (0.56) HTTIDO1ALDH1A1MAPTALOX12
SCHEMBL7967903 0.85 CNR1 (0.51) HTTIDO1ALDH1A1MAPK1KMT2A
Hydrochloric Acid SCHEMBL7968560 0.84 CNR1 (0.50) HTTIDO1ALDH1A1MAPK1KMT2A
SCHEMBL454852 0.83 LMNA (0.50) HTTALDH1A1MAPTALOX12PPARG
SCHEMBL29373341 0.83 LMNA (0.50) HTTALDH1A1MAPTALOX12PPARG
SCHEMBL7625975 0.81 NPC1 (0.54) HTTIDO1ALDH1A1LMNAMEN1
SCHEMBL8895176 0.81 ALDH1A1 (0.53) HTTIDO1ALDH1A1MAPTALOX12
SCHEMBL3980061 0.80 LMNA (0.43) HTTIDO1ALDH1A1MAPTALOX12
SCHEMBL9353428 0.80 ALDH1A1 (0.43) HTTIDO1ALDH1A1MAPTALOX12
Hydrochloric Acid SCHEMBL8896556 0.80 ALDH1A1 (0.52) HTTALDH1A1MAPTALOX12PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
CN-101141999-A Oral care compositions containing free-b-ring flavonoids andflavans COLGATE PALMOLIVE CO (US) 2008-03-12 CN disclosed
EP-0422803-A2 Dentifrice comprising cationic antibacterial agent Beecham Group p.l.c. (GB) 1991-04-17 EP disclosed
CN-1011287-B oral hygiene preparation ICI AMERICA INC (US) 1991-01-23 CN disclosed
EP-0186276-B1 ORAL HYGIENE COMPOSITION ICI AMERICAS INC. (US) 1990-11-22 EP disclosed
EP-0185971-B1 USE OF ALKYLGLYCOSIDES AS POTENTIATORS IN ANTISEPTIC AGENTS, AND DISINFECTANT AND CLEARING AGENTS WITH A BACTERICIDAL ACTIVITY Henkel Kommanditgesellschaft auf Aktien (DE) 1989-11-08 EP disclosed
EP-0074082-B1 STABLE ORAL COMPOSITIONS CONTAINING ZINC AND FLUORIDE COMPOUNDS Richardson-Vicks, Inc. (US) 1987-10-21 EP disclosed
CN-85109119-A ORAL HYGIENE COMPOSITION 1986-08-27 CN disclosed
EP-0079611-A2 Oral compositions containing strontium EDTA complex and soluble fluoride Richardson-Vicks, Inc. (US) 1983-05-25 EP disclosed
EP-0074082-A2 Stable oral compositions containing zinc and fluoride compounds Richardson-Vicks, Inc. (US) 1983-03-16 EP 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 HTT 399/4885IDO1 2222/4885ALDH1A1 1471/4885

“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.