SCHEMBL4086523

SCHEMBL4086523

COc1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.86
NPC1 O15118 11/20 0.86
SMN1; SMN2 Q16637 7/20 0.86
TP53 P04637 5/20 0.86
ALOX15 P16050 1/20 0.86
ALDH1A1 P00352 6/20 0.69
CYP1A2 P05177 2/20 0.69
KDM4E B2RXH2 1/20 0.69
KMT2A Q03164 6/20 0.68
MEN1 O00255 3/20 0.68
GAA P10253 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
MAPT P10636 3/20 0.66
HSD17B10 Q99714 1/20 0.65
CASP3 P42574 1/20 0.63
SENP7 Q9BQF6 1/20 0.63
LMNA P02545 2/20 0.62

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
SCHEMBL5333909 1.00 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.93 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4106651 0.88 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL30341896 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.88 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6459176 0.87 NPC1 (0.69) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL12268804 0.87 NPC1 (0.81) RAB9ANPC1SMN1; SMN2TP53ALOX15

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
EP-2013176-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER Sterix Limited (GB) 2009-01-14 EP disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 WO disclosed
WO-2007096647-A2 DIARYL COMPOUNDS AS NON-STEROIDAL INHIBITORS OF 17-BETA HYDROXYSTEROID DEHYDROGENASE AND/OR STEROID SULPHATASE FOR THE TREATMENT OF OESTROGEN-RELATED DISEASES SUCH AS HORMONE DEPENDENT BREAST CANCER STERIX LIMITED (GB) 2007-08-30 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 RAB9A 3860/4885NPC1 341/4885SMN1; SMN2 1091/4885

“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.