SCHEMBL6330002

SCHEMBL6330002

CCC(=O)c1cc2cccc(OC)c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.49
CHRNA7 P36544 4/20 0.48
HTR3A P46098 2/20 0.46
STING1 Q86WV6 6/20 0.43
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
TMIGD3 P0DMS9 1/20 0.41
ADORA1 P30542 1/20 0.41
HMGCR P04035 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40

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
SCHEMBL1850788 0.83 CA2 (0.53) CA2CHRNA7HTR3ALMNARECQL
SCHEMBL1849673 0.82 KDM4E (0.57) CA2CHRNA7HTR3ASTING1LMNA
SCHEMBL2895989 0.81 ALDH1A1 (0.55) CA2CHRNA7HTR3ALMNARECQL
SCHEMBL6335812 0.80 HDAC3 (0.63) CHRNA7HTR3ASTING1HDAC3HDAC4
SCHEMBL6336721 0.77 CLK1 (0.57) CA2CHRNA7HTR3ALMNARECQL
SCHEMBL6284804 0.75 CA2 (0.49) CA2CHRNA7HTR3ALMNARECQL
SCHEMBL2897570 0.75 CHRNA7 (0.53) CHRNA7HTR3ALMNAALDH1A1KMT2A
SCHEMBL5234936 0.73 CA2 (0.53) CA2CHRNA7HTR3ALMNARECQL
SCHEMBL21417060 0.72 KMT2A (0.44) CHRNA7HTR3AALDH1A1KMT2AHDAC3
SCHEMBL15697569 0.72 BCL2L1 (0.46) CA2CHRNA7HTR3AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO 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-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B CA2 3989/4885CHRNA7 129/4885HTR3A 10/4885

“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.