SCHEMBL4100261

SCHEMBL4100261

N=C(N)NCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CA2 P00918 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
BCHE P06276 1/20 0.48
NLN Q9BYT8 1/20 0.47
MAPK1 P28482 1/20 0.46
MC5R P33032 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 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
SCHEMBL30496750 1.00 MTNR1A (0.58) MTNR1AMEN1MAPTKMT2ACA2
Hydrochloric Acid SCHEMBL28128851 0.98 MTNR1A (0.57) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL13779452 0.86 MTNR1A (0.53) MTNR1AMEN1MAPTKMT2ACA2
Hydrochloric Acid SCHEMBL28489223 0.85 MTNR1A (0.51) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL5524250 0.84 MTNR1A (0.57) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL1386337 0.84 MTNR1A (0.76) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL9172150 0.82 MTNR1A (0.55) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL10591747 0.82 MEN1 (0.53) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL29145305 0.81 MTNR1A (0.62) MTNR1AMEN1MAPTKMT2ACA2
SCHEMBL1386334 0.80 MEN1 (0.62) MTNR1AMEN1MAPTKMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN 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
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
US-20030091611-A1 Devices and compounds for treating arterial restenosis ZAHRADKA PETER (CA) 2003-05-15 US disclosed
US-6544541-B1 Applying meta-iodobenzylguanidine (MIBG) and pharmaceutically acceptable excipient to a damaged vessel for inhibiting restenosis CARDIOVASCULAR SOLUTIONS, INC. (CA) 2003-04-08 US disclosed
EP-1185316-A1 DEVICES AND COMPOUNDS FOR TREATING ARTERIAL RESTENOSIS Cardio Vascular Solutions Inc. (CA) 2002-03-13 EP disclosed
WO-2000074742-A1 DEVICES AND COMPOUNDS FOR TREATING ARTERIAL RESTENOSIS CARDIO VASCULAR SOLUTIONS INC. (CA) 2000-12-14 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 (6 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA MTNR1A 217/4885MEN1 261/4885MAPT 2845/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 MTNR1A 2474/4885MEN1 294/4885MAPT 2382/4885
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE MTNR1A 3348/4885MEN1 4118/4885MAPT 3655/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 MTNR1A 1780/4885MEN1 237/4885MAPT 2407/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 MTNR1A 2571/4885MEN1 4540/4885MAPT 795/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT MTNR1A 1549/4885MEN1 455/4885MAPT 3332/4885

“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.