SCHEMBL9965398

SCHEMBL9965398

O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)C1CCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PTPN1 P18031 1/20 0.48
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
GRM5 P41594 1/20 0.45
MGLL Q99685 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
CHRM4 P08173 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL9965441 0.99 SMN1; SMN2 (0.48) SMN1; SMN2PTPN1CNR1CNR2ACHE
SCHEMBL5073382 0.88 GAA (0.52) SMN1; SMN2ACHEBACE1KMT2AMEN1
SCHEMBL9965430 0.87 CNR1 (0.50) CNR1CNR2KMT2AMEN1MAPT
SCHEMBL640994 0.87 ACHE (0.51) SMN1; SMN2ACHEBACE1KMT2AMEN1
SCHEMBL9965459 0.86 GAA (0.53) SMN1; SMN2PTPN1ACHEBACE1KMT2A
SCHEMBL9965435 0.86 CNR1 (0.49) SMN1; SMN2CNR1CNR2KMT2AMEN1
SCHEMBL642341 0.85 ACHE (0.66) SMN1; SMN2PTPN1ACHEBACE1KMT2A
SCHEMBL10173892 0.85 GAA (0.54) SMN1; SMN2PTPN1ACHEBACE1KMT2A
SCHEMBL9965439 0.84 KMT2A (0.53) SMN1; SMN2ACHEBACE1KMT2AMEN1
SCHEMBL640990 0.83 STS (0.52) PTPN1ACHEBACE1KMT2AGAA

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 SMN1; SMN2 3948/4885PTPN1 2512/4885CNR1 23/4885

“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.