SCHEMBL13007993

SCHEMBL13007993

CCn1cc(C(=O)O)c(=O)c2cc(C)c(N3CCN(C)CC3)cc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.78
KDM4E B2RXH2 7/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
ALDH1A1 P00352 5/20 0.71
HPGD P15428 2/20 0.71
NPC1 O15118 1/20 0.71
HSD17B10 Q99714 2/20 0.61
GAA P10253 1/20 0.61
RAD52 P43351 1/20 0.61
BRD4 O60885 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
CYP2J2 P51589 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GLA P06280 1/20 0.56
PIK3CD O00329 1/20 0.56
PIK3R1 P27986 1/20 0.56
PIK3CA P42336 1/20 0.56

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
SCHEMBL3725425 0.89 DRD3 (0.78) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL12665435 0.88 DRD3 (0.61) DRD3KDM4EMEN1KMT2AALDH1A1
Pefloxacin SCHEMBL28251251 0.88 DRD3 (1.00) DRD3KDM4EMEN1KMT2AALDH1A1
Pefloxacin SCHEMBL29351730 0.88 DRD3 (1.00) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL11022945 0.88 DRD3 (0.77) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL6664468 0.88 DRD3 (0.77) DRD3KDM4EMEN1KMT2AALDH1A1
Pefloxacin SCHEMBL34292 0.88 DRD3 (1.00) DRD3KDM4EMEN1KMT2AALDH1A1
SCHEMBL26017160 0.88 KDM4E (0.78) DRD3KDM4EMEN1KMT2AALDH1A1
Pefloxacin SCHEMBL8184732 0.87 DRD3 (0.98) DRD3KDM4EMEN1KMT2AALDH1A1
Pefloxacin SCHEMBL9800276 0.87 DRD3 (0.98) DRD3KDM4EMEN1KMT2AALDH1A1

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-20230233559-A1 COMBINATION OF ZIDOVUDINE AND FLUOROQUINOLONE ANTIBIOTIC HELPERBY THERAPEUTICS LIMITED (GB) 2023-07-27 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 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 (2 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-20230233559-A1 COMBINATION OF ZIDOVUDINE AND FLUOROQUINOLONE ANTIBIOTIC DUT, DPYD, IMPDH1 DRD3 949/4885KDM4E 1132/4885MEN1 4396/4885
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 DRD3 3281/4885KDM4E 2695/4885MEN1 1874/4885

“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.