SCHEMBL3029544

SCHEMBL3029544

CCCCC(C)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CTSS P25774 2/20 0.33
GRIA4 P48058 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
RIPK1 Q13546 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
POLB P06746 1/20 0.32
CTSK P43235 2/20 0.32
BDKRB2 P30411 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CA2 P00918 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
SCHEMBL19286068 0.93 GPR84 (0.37) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1687703 0.88 ALOX5 (0.40) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7874405 0.79
SCHEMBL14516277 0.79 NR1I2 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12193852 0.79 CHRNB2 (0.34) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11956274 0.78 ALOX5 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27408998 0.78 NR1I2 (0.40) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6685021 0.77 RIPK1 (0.40) RIPK1POLBBDKRB2
SCHEMBL14288462 0.77 SIGMAR1 (0.46) IDO1TDO2POLBSLC6A2
SCHEMBL22166101 0.76 NR1I2 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP disclosed
CN-101679344-B Method for the production of substituted heteroaromates SALTIGO GMBH 2013-04-24 CN disclosed
US-8258314-B2 Process for the preparation of substituted heteroaromatics SALTIGO GMBH (US) 2012-09-04 US disclosed
EP-2158193-B1 METHOD FOR THE PRODUCTION OF ALKYL-SUBSTITUTED THIOPHENES SALTIGO GMBH (DE) 2012-08-08 EP disclosed
US-20100217015-A1 Process for the preparation of substituted heteroaromatics SALTIGO GMBH (DE) 2010-08-26 US disclosed
CN-101679344-A Method for the production of substituted heteroaromates SALTIGO GMBH 2010-03-24 CN disclosed
EP-2158193-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED HETEROAROMATES Saltigo GmbH (DE) 2010-03-03 EP disclosed
WO-2008151920-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED HETEROAROMATES SALTIGO GMBH (DE) 2008-12-18 WO disclosed
EP-1836184-B1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION HONEYWELL INT INC (US) 2008-06-04 EP disclosed
EP-1836184-A1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION Honeywell International Inc. (US) 2007-09-26 EP disclosed
US-7205414-B2 Process for the Kumada coupling reaction HONEYWELL INTERNATIONAL INC. (US) 2007-04-17 US disclosed
WO-2006076150-A1 IMPROVED PROCESS FOR THE KUMADA COUPLING REACTION HONEYWELL INTERNATIONAL INC. (US) 2006-07-20 WO disclosed
US-20060155134-A1 Process for the kumada coupling reaction HONEYWELL INTERNATIONAL INC. 2006-07-13 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-20100217015-A1 Process for the preparation of substituted heteroaromatics CBR3, KCNA5, KAT5 ALOX5 192/4885CHRNB2 3043/4885CHRNB4 1876/4885
US-20060155134-A1 Process for the kumada coupling reaction KMT5A, KMT5C, KCNT1 ALOX5 1129/4885CHRNB2 4422/4885CHRNB4 3780/4885

“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.