SCHEMBL1769968

SCHEMBL1769968

O=C(CSc1ccccn1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
HSD11B1 P28845 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1769980 0.96 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL1770039 0.95 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
2-Mercaptopyridine SCHEMBL3408515 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL1770153 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A
SCHEMBL12596473 0.75 POLB (0.49) ALDH1A1RAB9ANPC1LMNAHSD11B1
SCHEMBL12596479 0.75 HSD11B1 (0.46) ALDH1A1LMNAHSD11B1HDAC4
SCHEMBL9863942 0.74 HSD11B1 (0.50) ALDH1A1SMN1; SMN2LMNAHSD11B1GAA
Bromide SCHEMBL7385458 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ARAB9ALMNA
SCHEMBL1770112 0.74 GRM5 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL6201522 0.73 RAB9A (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1RAB9A

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
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 ALDH1A1 307/4885SMN1; SMN2 2765/4885KMT2A 2328/4885

“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.