SCHEMBL9965459

SCHEMBL9965459

O=C(Nc1ccccc1Oc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
PTPN1 P18031 1/20 0.50
KMT2A Q03164 5/20 0.48
ACHE P22303 1/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CETP P11597 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CCR1 P32246 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL10173892 0.99 GAA (0.54) GAAPKMSMN1; SMN2PTPN1KMT2A
SCHEMBL9965408 0.92 GAA (0.49) GAAPKMSMN1; SMN2PTPN1KMT2A
SCHEMBL642196 0.86 GAA (0.56) GAAPKMSMN1; SMN2KMT2AACHE
SCHEMBL9965398 0.86 SMN1; SMN2 (0.50) GAAPKMSMN1; SMN2PTPN1KMT2A
SCHEMBL9965441 0.85 SMN1; SMN2 (0.48) GAAPKMSMN1; SMN2PTPN1KMT2A
SCHEMBL9965415 0.84 ACHE (0.68) GAAPKMPTPN1KMT2AACHE
SCHEMBL9965428 0.84 GAA (0.53) GAAPKMSMN1; SMN2KMT2AACHE
SCHEMBL9965426 0.84 GAA (0.56) GAAPKMKMT2AACHEBACE1
SCHEMBL641308 0.83 STS (0.55) GAAPKMPTPN1KMT2AACHE
SCHEMBL9965446 0.82 GAA (0.54) GAAPKMSMN1; SMN2PTPN1KMT2A

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 6 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-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 3744/4885SMN1; SMN2 3948/4885

“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.