SCHEMBL23745503

SCHEMBL23745503

c1ccc(Oc2ccc(CNCCc3c[nH]c4ccccc34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 2/20 0.67
MC3R P41968 2/20 0.67
MC1R Q01726 2/20 0.67
KMT2A Q03164 3/20 0.65
HTR2A P28223 8/20 0.63
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
KCNH2 Q12809 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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 SCHEMBL23721846 0.99 MC5R (0.66) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL5947571 0.89 KMT2A (0.79) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL830201 0.88 MC5R (0.79) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL23745542 0.87 HTR2A (0.77) MC5RMC3RMC1RKMT2AHTR2A
Hydrochloric Acid SCHEMBL11188453 0.86 MC5R (0.77) MC5RMC3RMC1RKMT2AHTR2A
Hydrochloric Acid SCHEMBL23721903 0.86 HTR2A (0.76) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL23745517 0.85 MC5R (0.71) MC5RMC3RMC1RKMT2AHTR2A
Hydrochloric Acid SCHEMBL23722207 0.84 MC5R (0.69) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL23745489 0.84 KMT2A (0.71) MC5RMC3RMC1RKMT2AHTR2A
SCHEMBL5948017 0.84 KMT2A (0.71) MC5RMC3RMC1RKMT2AHTR2A

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.