SCHEMBL2545992

SCHEMBL2545992

O=C(O)c1csc(-c2ccccc2Br)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
KDM4E B2RXH2 1/20 0.55
HPGDS O60760 1/20 0.54
ALDH1A1 P00352 2/20 0.51
HTR2B P41595 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PTGER1 P34995 1/20 0.47
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25415043 0.83 KDM4E (0.55) ACHEKDM4EHPGDSALDH1A1HDAC1
SCHEMBL2554136 0.81 HDAC6 (0.52) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL2693403 0.81 ACHE (0.63) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL9823334 0.81 HTR2B (0.73) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL3536997 0.80 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL6183496 0.80 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL2691637 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL6251863 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL26320404 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL352152 0.79 HPGDS (0.73) ACHEKDM4EHPGDSALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ACHE 885/4885KDM4E 1834/4885HPGDS 2971/4885

“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.