SCHEMBL4100562

SCHEMBL4100562

COc1ccc(Oc2ccc(C(=O)CCC(=O)NCCc3ccccn3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MMP1 P03956 2/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPK14 Q16539 1/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 2/20 0.47
VNN1 O95497 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4091376 0.90 SMN1; SMN2 (0.53) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL4093157 0.80 LMNA (0.61) KMT2ARAB9ANPC1MMP1LMNA
SCHEMBL4085481 0.79 MAPT (0.47) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL4086212 0.75 HSD17B1 (0.60) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL11617438 0.75 CA12 (0.71) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL6283263 0.74 RAB9A (0.66) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL9779435 0.74 KMT2A (0.60) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9090227 0.74 SMN1; SMN2 (0.61) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL4180089 0.74 RAB9A (0.55) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL704424 0.74 TAS1R3 (0.57) KMT2AMEN1SMN1; SMN2RAB9ANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KMT2A 2145/4885MEN1 1122/4885SMN1; 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.