SCHEMBL6464495

SCHEMBL6464495

CCCC(=O)Nc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
ADORA3 P0DMS8 1/20 0.56
GAA P10253 10/20 0.53
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
HSD17B10 Q99714 7/20 0.53
RAB9A P51151 7/20 0.53
MAPT P10636 7/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ALOX15 P16050 6/20 0.53
NPC1 O15118 5/20 0.53
TP53 P04637 5/20 0.53
HTT P42858 4/20 0.53
POLB P06746 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
PKM P14618 2/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL11199473 0.90 MEN1 (0.50) ADORA2AADORA1ADORA3GAAMEN1
SCHEMBL11204255 0.88 MEN1 (0.49) GAAMEN1KMT2AHSD17B10RAB9A
SCHEMBL6237186 0.87 CETP (0.51) GAAMEN1KMT2AHSD17B10RAB9A
SCHEMBL3422728 0.85 GAA (0.55) ADORA2AADORA1ADORA3GAAMEN1
Hydrochloric Acid SCHEMBL28317066 0.84 GAA (0.54) ADORA2AADORA1ADORA3GAAMEN1
SCHEMBL27489667 0.81 GAA (0.47) GAAMEN1KMT2AHSD17B10RAB9A
SCHEMBL8853392 0.78 CASP3 (0.57) GAAMEN1KMT2AHSD17B10RAB9A
SCHEMBL9382436 0.78 GAA (0.51) GAAMEN1KMT2AHSD17B10RAB9A
Acetic Acid SCHEMBL10585627 0.76 GAA (0.49) GAAMEN1KMT2AHSD17B10RAB9A
SCHEMBL21067510 0.75 GAA (0.49) GAAMEN1KMT2AHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108569977-A A kind of preparation method of primary fatty amides 中国科学技术大学 2018-09-25 CN disclosed
EP-3071036-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-28 EP disclosed
WO-2015061165-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-0078860-A1 New 5-(N-alkyl-N-acyl-amino)-thiophen-2-carboxylic acid derivatives, process for producing the same and pharmaceutical compounds containing the same A. Nattermann & Cie. GmbH (DE) 1983-05-18 EP disclosed
US-4349686-A 5-(N-Alkyl-N-acyl-amino)-thiophen-2-carboxylic acid derivatives A. NATTERMANN & CIE GMBH (DE) 1982-09-14 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ADORA2A 243/4885ADORA1 369/4885ADORA3 244/4885

“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.