SCHEMBL940030

SCHEMBL940030

Cc1c(C(=O)N2CCOCC2)csc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
HPGD P15428 5/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CNR1 P21554 1/20 0.51
TSHR P16473 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PLAUR Q03405 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6277440 0.75 ALDH1A1 (0.65) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL6277433 0.75 ALDH1A1 (0.65) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL937378 0.74 HPGD (1.00) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL7121916 0.73 SMN1; SMN2 (0.77) ALDH1A1HPGDGAASMN1; SMN2TSHR
SCHEMBL3996738 0.73 TSHR (0.73) ALDH1A1GAASMN1; SMN2TSHRPLAUR
SCHEMBL31182026 0.72 HPGD (0.74) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL10013747 0.72 HTT (0.72) ALDH1A1HPGDGAASMN1; SMN2MAPT
SCHEMBL3916398 0.72 HPGD (0.56) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL3758627 0.71 ALDH1A1 (0.63) ALDH1A1HPGDGAAKDM4ESMN1; SMN2
SCHEMBL29956307 0.71 ALDH1A1 (0.63) ALDH1A1HPGDGAAKDM4ESMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 328/4885HPGD 215/4885GAA 593/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 328/4885HPGD 215/4885GAA 593/4885

“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.