SCHEMBL3965732

SCHEMBL3965732

O=Cc1ccc(Oc2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
PARP10 Q53GL7 1/20 0.47
PARP3 Q9Y6F1 1/20 0.47
CYP2A6 P11509 2/20 0.44
ALDH1A3 P47895 1/20 0.40
STS P08842 1/20 0.39
MAPT P10636 1/20 0.38
DRD1 P21728 1/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
S1PR4 O95977 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8471918 0.84 MGMT (0.37) ALDH1A1PARP10MAPTKMT2AL3MBTL1
SCHEMBL9049910 0.81 SRC (0.46) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL141870 0.76 LTA4H (0.50) KDM4EPARP10MAPTKMT2AATM
SCHEMBL5050902 0.75 PARP10 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAPARP10
SCHEMBL1663469 0.75 PARP10 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAPARP10
SCHEMBL9479303 0.75 GAA (0.47) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL8124374 0.75 MAOA (0.43) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL2876554 0.75 APP (0.33) ALDH1A1L3MBTL1MAPK1
SCHEMBL8130697 0.75 MAPT (0.43) ALDH1A1KDM4ESMN1; SMN2LMNACYP2A6
SCHEMBL6631091 0.73 PARP10 (0.62) ALDH1A1PARP10PARP3MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836591-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-22 EP claimed
WO-1996040628-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME THE UNIVERSITY OF SASKATCHEWAN (CA) 1996-12-19 WO claimed
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 US disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 WO disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
EP-0836591-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-22 EP disclosed
US-5741818-A ANTICONVULSANTS UNIVERSITY OF SASKATCHEWAN (CA) 1998-04-21 US disclosed
WO-1996040628-A1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME THE UNIVERSITY OF SASKATCHEWAN (CA) 1996-12-19 WO disclosed
US-3966678-A Maleic anhydride-polyaldimine prepolymers RHONE-POULENC S.A. (FR) 1976-06-29 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 (3 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 ALDH1A1 905/4885KDM4E 2443/4885SMN1; SMN2 3819/4885
US-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 ALDH1A1 1310/4885KDM4E 4102/4885SMN1; SMN2 3472/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 ALDH1A1 877/4885KDM4E 2137/4885SMN1; SMN2 3509/4885

“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.