SCHEMBL314856

SCHEMBL314856

[c]1csc(Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CALM1 P0DP23 1/20 0.42
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 1/20 0.38
LTA4H P09960 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ABL1 P00519 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2095762 0.81 LTA4H (0.39) ALDH1A1LTA4HKMT2ARAB9AMEN1
SCHEMBL2093905 0.81 RAB9A (0.38) ALDH1A1HDAC6LMNARAB9ANPC1
SCHEMBL2088662 0.77 ALDH1A1 (0.50) ALDH1A1LTA4HLMNAKMT2ARAB9A
SCHEMBL2095241 0.77 LTA4H (0.43) ALDH1A1HDAC1HDAC6LTA4H
SCHEMBL6233676 0.76 IDO1 (0.47) LTA4H
SCHEMBL6238401 0.74 IDO1 (0.39) ALDH1A1TSHRKMT2ARAB9AMEN1
SCHEMBL27589094 0.74 POLB (0.50) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL315880 0.68 PDPK1 (0.43) ALDH1A1HDAC1HDAC6HDAC8KMT2A
SCHEMBL794861 0.68 ALDH1A1 (0.43) ALDH1A1CALM1HDAC1HDAC6HDAC8
SCHEMBL378027 0.65 PDPK1 (0.50) ALDH1A1CALM1LTA4HSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343561-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP claimed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP claimed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US claimed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US claimed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US claimed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US claimed
EP-1343561-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-09-17 EP claimed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP claimed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO claimed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO claimed
US-4826972-A Method for preparing crystalline cephalosporin derivative BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1989-05-02 US claimed
US-9089139-B2 Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives SDS BIOTECH K. K. (JP) 2015-07-28 US disclosed
EP-2455371-B1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS BIOTECH CORP (JP) 2013-12-25 EP disclosed
EP-2664238-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVE-CONTAINING PEST CONTROL COMPOSITION FOR AGRICULTURAL OR HORTICULTURAL USE SDS Biotech K. K. (JP) 2013-11-20 EP disclosed
US-8586505-B2 4-(3-butynyl)aminopyrimidine derivatives as pest control agents for agricultural and horticultural use SDS BIOTECH K. K. (JP) 2013-11-19 US disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
US-5066798-A CRYSTALLINE CEPHALOSPORIN DERIVATIVE BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1991-11-19 US disclosed
US-4826972-A Method for preparing crystalline cephalosporin derivative BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1989-05-02 US disclosed
EP-0305625-A1 Crystalline cephalosporine derivative BIOCHEMIE Gesellschaft m.b.H. (AT) 1989-03-08 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 (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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 ALDH1A1 1913/4885CALM1 4097/4885HDAC1 1626/4885

“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.