SCHEMBL23629003

SCHEMBL23629003

N#CCNC(=O)c1cc(OCc2ccccc2)c2nc(N)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.55
TOP2A P11388 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SMPD1 P17405 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KCNH2 Q12809 1/20 0.42
BRD4 O60885 5/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23628929 0.83 CYP3A4 (0.56) CYP2C19TOP2ACYP2D6CYP2C9CYP3A4
SCHEMBL23628947 0.83 TOP2A (0.55) CYP2C19TOP2ACYP2D6CYP2C9CYP3A4
SCHEMBL23628946 0.82 CYP3A4 (0.51) CYP2C19TOP2ACYP2D6CYP2C9CYP3A4
SCHEMBL23628900 0.78 TOP2A (0.81) TOP2A
SCHEMBL23628943 0.77 CYP3A4 (0.53) CYP3A4
SCHEMBL23628964 0.76 CYP3A4 (0.66) CYP2C19TOP2ACYP2C9CYP3A4KCNH2
SCHEMBL23629028 0.76 CYP3A4 (0.52) CYP2C19CYP2C9CYP3A4MRGPRX4KCNH2
SCHEMBL23629021 0.73 MRGPRX4 (0.53) CYP2C19CYP2C9CYP3A4MRGPRX4KCNH2
SCHEMBL30189770 0.73 CYP3A4 (0.60) CYP2C19CYP3A4KCNH2ALDH1A1
SCHEMBL19783575 0.73 CYP3A4 (0.60) CYP2C19CYP3A4KCNH2ALDH1A1

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 CYP2C19 426/4885TOP2A 2/4885CYP2D6 644/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B CYP2C19 352/4885TOP2A 2/4885CYP2D6 559/4885

“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.