SCHEMBL1888902

SCHEMBL1888902

CCOC(=O)c1cc2cc(N(Cc3ccccc3)Cc3ccccc3)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.50
DYRK1A Q13627 2/20 0.50
PTPN2 P17706 2/20 0.47
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KMT2A Q03164 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 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
SCHEMBL4258933 0.94 CLK1 (0.47) CLK1DYRK1APTPN2KDM4ENPC1
SCHEMBL3187716 0.81 PTPN2 (0.47) CLK1DYRK1APTPN2KDM4ENPC1
SCHEMBL1890495 0.81 HDAC1 (0.62) CLK1HDAC1ACKR3
SCHEMBL1885929 0.79 CLK1 (0.46) CLK1DYRK1APTPN2KDM4ESMN1; SMN2
SCHEMBL21417393 0.77 PTPN2 (0.50) CLK1DYRK1APTPN2KDM4ENPC1
SCHEMBL29913871 0.77 BCL2L1 (0.57) DYRK1APTPN2KDM4ENPC1RAB9A
SCHEMBL4405770 0.77 BCL2L1 (0.57) DYRK1APTPN2KDM4ENPC1RAB9A
SCHEMBL9176841 0.76 CYP4F2 (0.51) CLK1DYRK1APTPN2KDM4ENPC1
SCHEMBL11302733 0.76 PTPN2 (0.52) CLK1DYRK1APTPN2KDM4ENPC1
SCHEMBL1205380 0.76 PTPN2 (0.51) CLK1DYRK1APTPN2KDM4ENPC1

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
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 CLK1 3893/4885DYRK1A 2545/4885PTPN2 309/4885

“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.