SCHEMBL7080116

SCHEMBL7080116

O=C(O)c1nc(-c2cnccn2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 3/20 0.47
NAPRT Q6XQN6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
GRM1 Q13255 1/20 0.46
ADORA3 P0DMS8 2/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 1/20 0.42
ADRA1A P35348 1/20 0.42
MC3R P41968 1/20 0.42
KDM4A O75164 3/20 0.41
KDM4B O94953 3/20 0.41
KDM5B Q9UGL1 3/20 0.41
KDM5C P41229 2/20 0.41
KDM6B O15054 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
PIM1 P11309 1/20 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
SCHEMBL30620646 0.85 ADORA3 (0.49) HDAC1HDAC8HDAC6KDM4ENAPRT
Potassium Ion SCHEMBL30620626 0.84 HDAC1 (0.47) HDAC1HDAC8HDAC6KDM4ENAPRT
SCHEMBL5048867 0.82 ECE1 (0.42) KDM4EKDM4AKDM4BKDM5BKDM5C
SCHEMBL3740171 0.77 ADORA3 (0.58) KDM4EADORA3KDM4AKDM4BKDM5B
SCHEMBL10022668 0.75 CYP19A1 (0.62) KDM4ELMNAMEN1KMT2ANPC1
Bicarbonate SCHEMBL31484615 0.75 HCAR2 (0.56) HDAC1HDAC8HDAC6KDM4ENAPRT
SCHEMBL5734275 0.74 KDM4E (0.51) KDM4EGRM1LMNACDC7DBF4
SCHEMBL6558546 0.72 SPHK2 (0.46) RAB9AALDH1A1CYP1A2
SCHEMBL5048865 0.72 KDM4A (0.49) HDAC1HDAC6KDM4EADORA3TSHR
SCHEMBL6521674 0.72 KDM4E (0.46) HDAC1HDAC8HDAC6KDM4ENAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638953-B2 Central nervous system disorders; anxiety SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-28 US disclosed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A HDAC1 1480/4885HDAC8 1138/4885HDAC6 1423/4885

“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.