SCHEMBL19121981

SCHEMBL19121981

CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(-c4ccccc4)cc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
GLA P06280 1/20 0.49
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 4/20 0.46
DRD4 P21917 3/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
UCHL1 P09936 3/20 0.44
USP30 Q70CQ3 3/20 0.44
ROCK2 O75116 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
SCHEMBL19122920 0.90 KMT2A (0.49) HTTKMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL19122868 0.85 UTS2R (0.48) HTTGLAKMT2AALDH1A1SMN1; SMN2
SCHEMBL19121980 0.84 KMT2A (0.44) HTTKMT2AALDH1A1SMN1; SMN2ROCK2
SCHEMBL19122989 0.84 DRD4 (0.55) DRD2DRD4
SCHEMBL17269855 0.84 THRB (0.56) HTTKMT2ADRD2DRD4THRB
SCHEMBL19122940 0.80 MEN1 (0.48) HTTKMT2AALDH1A1DRD2DRD4
SCHEMBL19122562 0.80 THRB (0.56) HTTKMT2AALDH1A1SMN1; SMN2DRD2
SCHEMBL2961446 0.79 HTR1A (0.61) HTTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL2961452 0.79 HTR1A (0.61) HTTKMT2AALDH1A1SMN1; SMN2MEN1
Gyramide C SCHEMBL19107768 0.78 USP30 (0.57) KMT2ADRD2DRD4MEN1USP30

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-10253039-B2 Inhibitors of bacterial DNA gyrase with efficacy against gram-negative bacteria WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-04-09 US disclosed
US-20170197981-A1 INHIBITORS OF BACTERIAL DNA GYRASE WITH EFFICACY AGAINST GRAM-NEGATIVE BACTERIA THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-13 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 (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-20170197981-A1 INHIBITORS OF BACTERIAL DNA GYRASE WITH EFFICACY AGAINST GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B HTT 3909/4885GLA 209/4885KMT2A 1434/4885
US-10253039-B2 Inhibitors of bacterial DNA gyrase with efficacy against gram-negative bacteria TOP1, TOP2A, TOP2B HTT 3909/4885GLA 209/4885KMT2A 1434/4885

“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.