SCHEMBL2892580

SCHEMBL2892580

CC(=O)Nc1cc2c(cc1CNc1ccccc1Oc1ccc(Cl)cc1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2888424 0.85 HTR2A (0.45) LMNACYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL2885398 0.85 L3MBTL1 (0.47) LMNAL3MBTL1TDP1HTR2ASLC6A4
SCHEMBL2888605 0.84 HTR2A (0.51) RAB9ANPC1LMNAL3MBTL1TDP1
SCHEMBL2884685 0.82 L3MBTL1 (0.43) LMNACYP3A4CYP2D6CYP2C19L3MBTL1
SCHEMBL13067958 0.82 L3MBTL1 (0.42) LMNACYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL2890483 0.78 HTR2A (0.49) RAB9ANPC1LMNACYP1A2CYP3A4
SCHEMBL16316797 0.78 L3MBTL1 (0.56) RAB9ANPC1LMNAL3MBTL1TDP1
SCHEMBL2890797 0.77 PNLIP (0.45) LMNACYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL3655717 0.76 LMNA (0.47) RAB9ANPC1LMNAL3MBTL1TDP1
SCHEMBL2892436 0.76 MAPK8 (0.53) NPC1LMNAL3MBTL1MAPTSMN1; SMN2

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
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-8558028-B2 Compound capable of inhibiting 17-beta hydroxysteriod dehydrogenase UNIVERSITY OF BATH OF CLAVERTON DOWN (GB) 2013-10-15 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
US-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2010-11-11 US disclosed
WO-2009066072-A2 COMPOUND STERIX LIMITED (GB) 2009-05-28 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-20100286204-A1 COMPOUND CAPABLE OF INHIBITING 17-BETA HYDROXYSTERIOD DEHYDROGENASE HSD17B13, HSD17B3, HSD3B2 RAB9A 2907/4885NPC1 1118/4885LMNA 4164/4885

“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.