SCHEMBL3323307

SCHEMBL3323307

O=C(NCCc1cccs1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.74
POLB P06746 2/20 0.62
KMT2A Q03164 1/20 0.62
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ADAM17 P78536 1/20 0.55
HSD11B1 P28845 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TSHR P16473 2/20 0.51
MTNR1A P48039 1/20 0.51
PKM P14618 1/20 0.50
EPHX2 P34913 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5567016 0.85 HPGD (1.00) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL22735646 0.84 POLB (0.60) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL22735669 0.84 POLB (0.60) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL6077865 0.84 HPGD (0.97) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL6640052 0.79 GAA (0.61) KDM4EGAA
SCHEMBL22400673 0.79 POLB (0.54) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL22365504 0.78 HSD11B1 (0.49) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL22735664 0.78 ALDH1A1 (0.61) HPGDPOLBKMT2AMAPTGAA
SCHEMBL15989234 0.78 ADAM17 (0.53) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL24799357 0.77 ITGB3 (0.64) HPGDPOLBNPC1RAB9ACYP2D6

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HPGD 330/4885POLB 1708/4885KMT2A 3083/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HPGD 3581/4885POLB 3372/4885KMT2A 2533/4885

“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.