SCHEMBL3751996

SCHEMBL3751996

O=C(Nc1ccc(N2CCCCC2)cc1)c1nn(CCCOc2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 12/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
PKM P14618 2/20 0.48
TP53 P04637 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HTT P42858 1/20 0.47
KLF5 Q13887 1/20 0.47
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL3755136 0.95 RAB9A (0.54) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL3431593 0.88 NPC1 (0.49) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL3431330 0.84 ELANE (0.53) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL3751881 0.79 MAPT (0.50) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL3427834 0.79 TSHR (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL3432576 0.79 ELANE (0.54) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL3431965 0.77 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL3759797 0.75 TDP1 (0.48) RAB9ANPC1TDP1MAPTSMN1; SMN2
SCHEMBL3430696 0.75 ALDH1A1 (0.55) RAB9ANPC1MAPTSMN1; SMN2TP53
SCHEMBL3430258 0.75 MAPT (0.52) RAB9ANPC1TDP1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US claimed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 US disclosed
WO-2009121623-A2 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-10-08 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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 RAB9A 2878/4885NPC1 2272/4885TDP1 826/4885

“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.