SCHEMBL642341

SCHEMBL642341

O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.66
BACE1 P56817 2/20 0.66
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.57
MGLL Q99685 9/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
MEN1 O00255 1/20 0.50
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5073382 0.91 GAA (0.52) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL640994 0.88 ACHE (0.51) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL641275 0.87 ACHE (0.69) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL9965441 0.86 SMN1; SMN2 (0.48) ACHEBACE1KMT2AMGLLPTPN1
SCHEMBL9965415 0.86 ACHE (0.68) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL641134 0.86 CNR1 (0.49) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL9965398 0.85 SMN1; SMN2 (0.50) ACHEBACE1KMT2AMGLLPTPN1
SCHEMBL9965439 0.85 KMT2A (0.53) ACHEBACE1ALDH1A1KMT2AMGLL
SCHEMBL640990 0.84 STS (0.52) ACHEBACE1KMT2AMGLLPTPN2
SCHEMBL9965382 0.83 PTPN1 (0.51) ACHEBACE1ALDH1A1KMT2AMGLL

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 ACHE 3829/4885BACE1 4009/4885ALDH1A1 2109/4885

“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.