SCHEMBL2227790

SCHEMBL2227790

O=C(c1csc(-c2ccccc2)n1)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
HTR2C P28335 3/20 0.51
HPGDS O60760 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2225857 0.86 HDAC1 (0.55) CHEK1PTGDR2HDAC1HDAC8HDAC6
SCHEMBL29944217 0.86 HTR2C (0.63) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL3543198 0.86 HTR2C (0.63) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL3547467 0.86 HTR2C (0.63) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL17953075 0.85 PTGDR2 (0.54) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL25230843 0.84 CHEK1 (0.45) CHEK1PTGDR2SIGMAR1HTR2C
SCHEMBL22221788 0.84 PTGDR2 (0.53) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL22221831 0.83 PTGDR2 (0.52) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL22221724 0.82 PTGDR2 (0.53) PTGDR2HDAC1HDAC8HDAC6HTR2C
SCHEMBL22221696 0.81 DRD2 (0.64) PTGDR2

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-20220055997-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS COMPRISING SAME B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-02-24 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (2 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B CHEK1 1050/4885PTGDR2 1147/4885HDAC1 1440/4885
US-20220055997-A1 ANTIMICROBIAL COMPOUNDS AND COMPOSITIONS COMPRISING SAME MPO, IMMT, CLPP CHEK1 3919/4885PTGDR2 4624/4885HDAC1 2098/4885

“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.