SCHEMBL642234

SCHEMBL642234

O=C(Nc1ccccc1Oc1cc(Cl)cc(Cl)c1)C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
PKM P14618 1/20 0.62
CXCR2 P25025 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ROCK2 O75116 1/20 0.43
HSP90AB1 P08238 2/20 0.43
TOP2A P11388 2/20 0.43
F10 P00742 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL641983 0.90 GAA (0.66) GAAPKMCXCR2SMN1; SMN2SIRT2
SCHEMBL9965464 0.85 SLC6A2 (0.45) GAAPKMCXCR2HTR1ASLC6A2
SCHEMBL641183 0.83 GAA (0.53) GAAPKMCXCR2SMN1; SMN2HTR1A
SCHEMBL642196 0.83 GAA (0.56) GAAPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL10173892 0.81 GAA (0.54) GAAPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL9965415 0.81 ACHE (0.68) GAAPKMKDM4EKMT2AACHE
SCHEMBL9965459 0.80 GAA (0.53) GAAPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL9965426 0.80 GAA (0.56) GAAPKMCXCR2KDM4EKMT2A
SCHEMBL9965428 0.80 GAA (0.53) GAAPKMSMN1; SMN2KDM4EKMT2A
SCHEMBL641080 0.80 GAA (0.62) GAAPKMCXCR2SMN1; SMN2SIRT2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 GAA 4841/4885PKM 3744/4885CXCR2 370/4885

“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.