SCHEMBL4099711

SCHEMBL4099711

COc1ccc(N=C(N)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 1.00
HTR3B O95264 4/20 1.00
HTR3A P46098 4/20 1.00
HTR3D Q70Z44 4/20 1.00
HTR3C Q8WXA8 4/20 1.00
NOS3 P29474 4/20 0.76
ACR P10323 2/20 0.69
PRSS1 P07477 2/20 0.69
ADRA2A P08913 3/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
POLB P06746 1/20 0.64
NOS1 P29475 2/20 0.59
NOS2 P35228 2/20 0.59
FURIN P09958 2/20 0.59
TAAR1 Q96RJ0 1/20 0.58
SLC22A2 O15244 1/20 0.58
SLC22A1 O15245 1/20 0.58
SLC22A3 O75751 1/20 0.58
PLAU P00749 1/20 0.58

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 SCHEMBL5635577 0.98 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5423613 0.81 NOS3 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4334877 0.79 NOS3 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4334880 0.79 NOS3 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10656959 0.79 NOS3 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5112456 0.79 NOS3 (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10513756 0.77 NOS3 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6618176 0.77 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6138149 0.77 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4099965 0.77 ADRA2A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407720-A A kind of catalysis of iodine thiocarbamide desulfurization preparation replaces the synthetic method of guanidine XIAN MODERN CHEMISTRY RES INST 2019-11-05 CN disclosed
CN-110156641-A A kind of synthetic method replacing guanidine 西安近代化学研究所 2019-08-23 CN disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
EP-1799684-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-27 EP disclosed
WO-2006041773-A2 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-04-20 WO 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
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed
EP-0337734-B1 Heat-developable diazo copying material FUJI PHOTO FILM CO LTD (JP) 1995-03-08 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 (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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA HTR3E 755/4885HTR3B 795/4885HTR3A 326/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 HTR3E 2678/4885HTR3B 2709/4885HTR3A 2555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 HTR3E 2522/4885HTR3B 2697/4885HTR3A 2631/4885
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 HTR3E 2040/4885HTR3B 1371/4885HTR3A 552/4885

“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.