SCHEMBL23745646

SCHEMBL23745646

Clc1ccc(CNCCc2c[nH]c3ccccc23)c(Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.68
MC3R P41968 2/20 0.68
MC1R Q01726 2/20 0.68
G6PD P11413 1/20 0.56
HTR2A P28223 3/20 0.56
KCNT1 Q5JUK3 1/20 0.55
HTR6 P50406 7/20 0.53
GAA P10253 1/20 0.52
HTR1A P08908 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
DRD2 P14416 1/20 0.51
HTR7 P34969 1/20 0.51
POLB P06746 1/20 0.50
SLC2A1 P11166 1/20 0.50
RAD52 P43351 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Hydrochloric Acid SCHEMBL23722043 0.99 MC5R (0.67) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL798249 0.82 MC1R (1.00) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL23745649 0.81 MC5R (0.56) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL23745747 0.81 MC5R (0.56) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL17232881 0.78 MC5R (0.83) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL18770219 0.78 MC5R (0.78) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL23745403 0.77 MC1R (0.67) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL17117861 0.76 MC5R (0.71) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL7970552 0.76 MC5R (0.81) MC5RMC3RMC1RG6PDHTR2A
SCHEMBL28268915 0.76 MC5R (0.80) MC5RMC3RMC1RG6PDHTR2A

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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-08-12 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-20210246115-A1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF FDPS, FPR1, F12 MC5R 3934/4885MC3R 4252/4885MC1R 3969/4885

“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.