SCHEMBL4589036

SCHEMBL4589036

[CH2]N(C(N)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
PARP1 P09874 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL21597430 0.77 ALOX5 (0.44) NPSR1ALDH1A1TSHRTDP1MAPT
Ethylene SCHEMBL6469102 0.76 NPSR1 (0.58) NPSR1ALDH1A1POLBTSHRTDP1
SCHEMBL27458234 0.76 ALDH1A1 (0.60) NPSR1ALDH1A1TSHRTDP1L3MBTL1
SCHEMBL12471441 0.76 NPSR1 (0.46) NPSR1ALDH1A1POLBTSHRL3MBTL1
SCHEMBL8325081 0.76 ESR1 (0.42) NPSR1ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL28237283 0.75 NPSR1 (0.50) NPSR1ALDH1A1POLBTSHRTDP1
SCHEMBL28148401 0.75 NPSR1 (0.64) NPSR1ALDH1A1POLBTSHRTDP1
SCHEMBL764342 0.75 NPSR1 (0.50) NPSR1ALDH1A1POLBTSHRTDP1
SCHEMBL75885 0.75 NPSR1 (0.64) NPSR1ALDH1A1POLBTSHRTDP1
SCHEMBL75883 0.75 NPSR1 (0.64) NPSR1ALDH1A1POLBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP claimed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
EP-0858455-A4 4-OXA AND 4-THIA STEROIDS MERCK & CO INC (US) 2000-04-12 EP claimed
US-5998464-A 4-Oxa and 4-thia steroids MERCK & CO., INC. (US) 1999-12-07 US claimed
US-5817802-A IN IONIZING MEDIUM WITH A TRIALKYLSILANE MERCK & CO., INC. (US) 1998-10-06 US claimed
EP-0858455-A1 4-OXA AND 4-THIA STEROIDS Merck & Co., Inc. (US) 1998-08-19 EP claimed
US-5777134-A 4-oxa and 4-thia steriods MERCK & CO., INC. (US) 1998-07-07 US claimed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US claimed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO claimed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO claimed
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
US-5696266-A HYDROGENATING DELTA-5-STEROIDAL ENELACTAM DISSOLVED IN SOLVENT IN PRESENCE OF RHODIUM CATALYST MERCK & CO., INC. (US) 1997-12-09 US disclosed
WO-1997015305-A1 TREATMENT OF HYPERANDROGENIC CONDITIONS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015564-A1 4-OXA AND 4-THIA STEROIDS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1996007643-A1 PROCESS FOR THE STEREOSELECTIVE REDUCTION OF STEROID ENELACTAMS MERCK & CO., INC. (US) 1996-03-14 WO disclosed
EP-0561252-A1 2-Oxoquinoline derivatives as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-09-22 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 (3 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-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D NPSR1 2661/4885ALDH1A1 2589/4885POLB 4360/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 NPSR1 159/4885ALDH1A1 1361/4885POLB 2640/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 NPSR1 721/4885ALDH1A1 306/4885POLB 1427/4885

“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.