SCHEMBL22010484

SCHEMBL22010484

C1=C(c2ccc(Oc3ncccn3)cc2)C[C@@H]2CNC[C@H]12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
APAF1 O14727 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY14 Q15391 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK9 P50750 3/20 0.35
CCNT1 O60563 2/20 0.35
CHRNB2 P17787 6/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
CHRNA4 P43681 6/20 0.35
CHRNA7 P36544 5/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
BTK Q06187 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TNK2 Q07912 1/20 0.33

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
SCHEMBL22010897 0.84 CHRNB2 (0.43) P2RY14CDK9CCNT1CHRNB2CHRNB4
SCHEMBL22010508 0.83 CHRNB2 (0.45) P2RY14CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22011040 0.79 CHRNB2 (0.51) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22010770 0.76 HRH3 (0.45) MEN1KMT2AP2RY14KDM4ELMNA
SCHEMBL5937537 0.75 CHRNB2 (0.54) P2RY14LMNACDK9CCNT1CHRNB2
SCHEMBL5937544 0.75 CHRNB2 (0.54) P2RY14LMNACDK9CCNT1CHRNB2
SCHEMBL5937541 0.75 CHRNB2 (0.54) P2RY14LMNACDK9CCNT1CHRNB2
SCHEMBL15596510 0.75 CHRNB2 (0.54) P2RY14LMNACDK9CCNT1CHRNB2
SCHEMBL22010756 0.75 CHRNB2 (0.36) P2RY14CDK9CCNT1CHRNB2CHRNB4
SCHEMBL16941423 0.75 P2RY14 (0.42) P2RY14CDK9CCNT1CHRNB2CHRNB4

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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO 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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC MEN1 585/4885APAF1 4735/4885KMT2A 3401/4885

“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.