SCHEMBL19251280

SCHEMBL19251280

CCCCCCCC(C)(CCCC)c1ccc(C#N)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.38
CNR1 P21554 8/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AR P10275 1/20 0.36
CHEK1 O14757 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL22752561 0.98 CNR2 (0.38) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL19251124 0.88 CNR2 (0.45) CNR2CNR1
SCHEMBL20388894 0.80 CNR2 (0.41) CNR2CNR1ESR1ESR2KMT2A
SCHEMBL19633846 0.80 CNR2 (0.38) CNR2CNR1ESR1ESR2
SCHEMBL25086407 0.78 CNR2 (0.39) CNR2CNR1
SCHEMBL24836091 0.78 CNR2 (0.42) CNR2CNR1ESR1KMT2A
SCHEMBL18935708 0.78 AR (0.39) CNR2CNR1ARCHEK1ESR1
SCHEMBL22209324 0.78 TSHR (0.49) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL28897627 0.77 AR (0.44) ALDH1A1ARCHEK1ESR1ESR2
SCHEMBL26449329 0.77 MEN1 (0.39) CNR2CNR1ESR1TSHRMEN1

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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4524/4885CNR1 4239/4885KDM4E 2371/4885

“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.