SCHEMBL4091376

SCHEMBL4091376

O=C(CCC(=O)c1ccc(Oc2ccc(O)cc2)cc1)NCCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 1/20 0.51
MAPK14 Q16539 1/20 0.50
MMP1 P03956 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL4100562 0.90 KMT2A (0.55) SMN1; SMN2RAB9ANPC1MAPK14MMP1
SCHEMBL4092508 0.79 MMP1 (0.49) SMN1; SMN2RAB9ANPC1MMP1KMT2A
SCHEMBL4086212 0.76 HSD17B1 (0.60) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL9090227 0.75 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL9677581 0.74 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AKMT2AMEN1POLB
SCHEMBL4085481 0.74 MAPT (0.47) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL9779435 0.73 KMT2A (0.60) SMN1; SMN2RAB9AKMT2AMEN1POLB
SCHEMBL6665224 0.72 HPGD (0.68) SMN1; SMN2RAB9AKMT2AMEN1POLB
SCHEMBL4085277 0.72 HSD17B1 (0.60) SMN1; SMN2MAPK14MMP1KMT2APOLB
SCHEMBL18381293 0.71 KMT2A (0.55) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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 4 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
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 SMN1; SMN2 1091/4885RAB9A 3860/4885NPC1 341/4885

“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.