SCHEMBL937378

SCHEMBL937378

Cc1c(-c2ccccc2)sc(Br)c1C(=O)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 3/20 0.74
HSD17B10 Q99714 3/20 0.74
GAA P10253 1/20 0.74
ALOX15 P16050 1/20 0.74
CASP1 P29466 1/20 0.74
TSHR P16473 2/20 0.56
CNR1 P21554 1/20 0.55
TP53 P04637 4/20 0.52
MDM2 Q00987 3/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRM6 O15303 1/20 0.49
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL6277433 0.79 ALDH1A1 (0.65) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL6277440 0.79 ALDH1A1 (0.65) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL940030 0.74 ALDH1A1 (0.59) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL6266289 0.73 HPGD (0.58) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL6266292 0.73 HPGD (0.58) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL17903690 0.73 ALDH1A1 (0.57) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3916398 0.72 HPGD (0.56) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL17906056 0.72 ALDH1A1 (0.55) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL17054297 0.72 SMN1; SMN2 (0.57) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3553965 0.72 TSHR (1.00) ALDH1A1KDM4EHSD17B10GAATSHR

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 HPGD 215/4885ALDH1A1 328/4885KDM4E 2053/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 HPGD 215/4885ALDH1A1 328/4885KDM4E 2053/4885

“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.