SCHEMBL81681

SCHEMBL81681

Cc1cccc(CCCS)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.59
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HRH3 Q9Y5N1 3/20 0.49
IDO1 P14902 2/20 0.47
ACHE P22303 1/20 0.44
DAO P14920 3/20 0.44
FDPS P14324 1/20 0.42
SLC5A2 P31639 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
SCHEMBL6597028 0.87 TAAR1 (0.63) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8092500 0.87 TAAR1 (0.68) TAAR1HRH3IDO1ACHEDAO
SCHEMBL8099771 0.87 TAAR1 (0.68) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8101532 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8086943 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8092438 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8102622 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8093918 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8094389 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL8095693 0.85 TAAR1 (0.65) TAAR1HDAC3HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022234965-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2022-11-10 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C TAAR1 197/4885HDAC3 2449/4885HDAC1 1877/4885

“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.