SCHEMBL20685684

SCHEMBL20685684

CC(C)c1nc2cc(Cl)cnc2s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
ACACB O00763 1/20 0.30

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
SCHEMBL12269117 0.81 HRH4 (0.35) ACACB
SCHEMBL12318122 0.81 CYP1A2 (0.35)
SCHEMBL16711669 0.77 SMN1; SMN2 (0.41) GRM5HPGDHSD17B10LMNAKMT2A
SCHEMBL19341416 0.76 KMT2A (0.34) HTTHSD17B10KMT2A
SCHEMBL20100077 0.76 POLB (0.36) MEN1KMT2A
SCHEMBL19329221 0.73 ALDH1A1 (0.38) HTTHSD17B10
SCHEMBL16709295 0.72 CASR (0.31)
SCHEMBL16421057 0.72 LOXL2 (0.31)
SCHEMBL12210435 0.71 EGFR (0.31)
SCHEMBL16696638 0.70 LOXL2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 GRM5 3211/4885HPGD 293/4885HTT 4063/4885

“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.