SCHEMBL25859302

SCHEMBL25859302

COCCOCc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 3/20 0.53
GPR84 Q9NQS5 2/20 0.53
AHR P35869 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2D6 P10635 2/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2C P28335 3/20 0.47
HTR2B P41595 2/20 0.47
HTR1D P28221 2/20 0.47

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
SCHEMBL25864285 0.87 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL887095 0.84 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL25859304 0.84 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL25857756 0.83 HTR2A (0.51) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL25862649 0.83 MEN1 (0.49) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL25864269 0.82 MEN1 (0.55) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL25863136 0.82 MEN1 (0.47) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL3173523 0.81 HTR2A (0.61) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL3163672 0.81 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTGPR84
SCHEMBL13610194 0.80 MTNR1A (0.50) MEN1KMT2ACYP3A4MAPTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-07-20 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-20230227476-A1 GALLIUM-SALOPHEN ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF SLC30A5, SALL4, GLB1 MEN1 1687/4885KMT2A 4707/4885CYP3A4 2739/4885

“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.