SCHEMBL4698772

SCHEMBL4698772

S=C=NC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.37
HTR2A P28223 1/20 0.37
MIF P14174 2/20 0.34
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3837050 0.77 GPR3 (0.37) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29648866 0.77 GPR3 (0.37) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL4701299 0.77 RET (0.42) HTR2A
SCHEMBL70001 0.72 GPR3 (0.44) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL31296479 0.70 HTR2A (0.48) GPR3HTR2AMIFALDH1A1TRPA1
SCHEMBL6550865 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL8458737 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL13185884 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL28342704 0.67 IDO1 (0.42) ALDH1A1
SCHEMBL4994372 0.67 HTR2A (0.56) GPR3HTR2AHDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358737-B1 RGD-CONTAINING PEPTIDOMIMETICS AND USES THEREOF STEBA BIOTECH S A (LU) 2017-03-01 EP claimed
CN-102264756-B RGD-containing peptidomimetics and uses thereof STEBA BIOTECH N V 2014-08-06 CN claimed
CN-102264756-A Rgd-containing peptidomimetics and uses thereof 2011-11-30 CN claimed
US-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid CARL ZEISS AG (DE) 2010-08-26 US disclosed
US-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid CARL ZEISS AG (DE) 2010-08-26 US disclosed
EP-1330451-B1 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2008-01-23 EP disclosed
US-6653478-B2 Psychological disorders; hypotensive agents ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-25 US disclosed
EP-1330451-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-04-17 US disclosed
EP-1227898-A1 TRANSIENTLY DYNAMIC FLOW CYTOMETER ANALYSIS SYSTEM Cytomation, Inc. (US) 2002-08-07 EP disclosed
WO-2002055514-A2 SUBSTITUTED BENZIMIDAZOL-2-ONES AS VASOPRESSIN RECEPTOR ANTAGONISTS AND NEUROPEPTIDE Y MODULATORS ORTHO MCNEIL PHARM INC (US) 2002-07-18 WO disclosed
WO-2001028700-A1 TRANSIENTLY DYNAMIC FLOW CYTOMETER ANALYSIS SYSTEM CYTOMATION, INC. (US) 2001-04-26 WO disclosed
CN-1069490-A Urea derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-03-03 CN disclosed
US-4824908-A ENDCAPPED OR COUPLED WITH ISOCYANATE OR ISOTHIOCYANATE COMPOUNDS; BLENDS, VULCANIZED; TIRES, HOSES JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-04-25 US disclosed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 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 (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-20030073842-A1 Novel substituted benzimidazol-2-ones as vasopressin receptor antagonists and neuropeptide Y modulators AVPR2, NPY1R, AVPR1B GPR3 214/4885HTR2A 255/4885MIF 1570/4885
US-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid F12, NR1H3, FLI1 GPR3 2263/4885HTR2A 2691/4885MIF 643/4885

“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.