SCHEMBL23745658

SCHEMBL23745658

Fc1ccc(CNCCc2c[nH]c3ccccc23)c(F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 3/20 0.70
MC5R P33032 2/20 0.70
MC3R P41968 2/20 0.70
MPO P05164 4/20 0.67
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
SLC6A4 P31645 3/20 0.58
HTR2A P28223 1/20 0.57
HTR1A P08908 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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 SCHEMBL23722110 0.99 MC5R (0.68) MC1RMC5RMC3RMPOHDAC3
SCHEMBL23745403 0.88 MC1R (0.67) MC1RMC5RMC3RMPOHDAC3
Hydrochloric Acid SCHEMBL23722132 0.86 MC1R (0.65) MC1RMC5RMC3RMPOHDAC3
SCHEMBL798249 0.83 MC1R (1.00) MC1RMC5RMC3RHTR2AHTR1A
SCHEMBL17232881 0.79 MC5R (0.83) MC1RMC5RMC3RMPOHTR2A
SCHEMBL2405136 0.78 MPO (0.86) MPOHDAC3HDAC1HDAC2HDAC8
SCHEMBL13949908 0.78 HDAC1 (0.75) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7970552 0.77 MC5R (0.81) MC1RMC5RMC3RMPOHTR2A
SCHEMBL28268915 0.77 MC5R (0.80) MC1RMC5RMC3RMPOSLC6A4
SCHEMBL830201 0.76 MC5R (0.79) MC1RMC5RMC3RHDAC3HDAC1

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 MC1R 3969/4885MC5R 3934/4885MC3R 4252/4885

“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.