SCHEMBL3322819

SCHEMBL3322819

O=C(NCc1ccc(-c2ccccn2)s1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.55
HPGD P15428 2/20 0.53
ALDH1A1 P00352 3/20 0.51
CYP17A1 P05093 2/20 0.51
CYP19A1 P11511 2/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
P2RX7 Q99572 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
AGTR1 P30556 1/20 0.48
OPRK1 P41145 1/20 0.48
RECQL P46063 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
CNR1 P21554 1/20 0.44

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
SCHEMBL3322002 0.84 KMT2A (0.55) HSD11B1ALDH1A1KMT2APOLBP2RX7
SCHEMBL13333014 0.80 HSD11B1 (0.76) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL9373354 0.76 HDAC3 (0.51) ALDH1A1KMT2APOLBKDM4EMAPT
SCHEMBL12319896 0.73 HSD11B1 (0.59) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL13333063 0.71 HSD11B1 (0.60) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL3327946 0.71 HSD11B1 (1.00) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL13333013 0.71 HSD11B1 (1.00) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL3455848 0.70 HPGD (1.00) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL4002563 0.69 HSD11B1 (0.50) HSD11B1HPGDALDH1A1CYP17A1CYP19A1
SCHEMBL3949390 0.69 HSD11B1 (0.63) HSD11B1HPGDALDH1A1CYP17A1CYP19A1

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 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-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885HPGD 3581/4885ALDH1A1 3143/4885

“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.