SCHEMBL23629009

SCHEMBL23629009

COC(=O)c1cc(-c2ccccc2)c2nc(N)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
PRKCZ Q05513 1/20 0.45
EGFR P00533 1/20 0.45
PDGFRB P09619 3/20 0.45
KDR P35968 3/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL23629004 0.80 CYP2C19 (0.55) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL6058096 0.80 HSD17B10 (0.55) ALDH1A1KDM4EHSD17B10MAPTCYP2C19
SCHEMBL29387320 0.80 HSD17B10 (0.55) ALDH1A1KDM4EHSD17B10MAPTCYP2C19
SCHEMBL23628929 0.79 CYP3A4 (0.56) HPGDMAPTCYP2C19CYP2C9LMNA
SCHEMBL642545 0.79 CYP3A4 (0.50) ALDH1A1KDM4EHSD17B10MAPTTDP1
SCHEMBL2275450 0.79 LMNA (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL11589979 0.79 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL2920222 0.79 CYP2C9 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10
SCHEMBL31652074 0.78 CYP2C9 (0.43) SMN1; SMN2MAPTCYP2C19CYP2C9MEN1
SCHEMBL21216841 0.76 HDAC1 (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 US disclosed
US-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA UNIVERZA V LJUBLJANI (SI) 2021-10-21 US disclosed
EP-3847172-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA Univerza v Ljubljani (SI) 2021-07-14 EP 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-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B ALDH1A1 3249/4885HPGD 656/4885KDM4E 1591/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B ALDH1A1 3339/4885HPGD 704/4885KDM4E 1449/4885

“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.