SCHEMBL18083271

SCHEMBL18083271

c1ccc(-c2csc3nc4ccccc4n23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
HSD17B10 Q99714 5/20 0.64
TSHR P16473 1/20 0.64
PKM P14618 1/20 0.51
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BRD4 O60885 1/20 0.48
HPGD P15428 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.41
TYMS P04818 1/20 0.41

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
SCHEMBL18701128 0.90 KDM4E (0.53) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL18083272 0.88 IDO1 (0.52) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL9522612 0.88 KDM4E (0.51) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL18083273 0.88 KDM4E (0.51) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL18701131 0.85 KDM4E (0.52) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL18059954 0.84 ADORA3 (0.55) KDM4EHSD17B10TSHRALDH1A1L3MBTL1
SCHEMBL9263585 0.82 KDM4E (0.49) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL9263582 0.82 KDM4E (0.49) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL18701262 0.81 KDM4E (0.51) KDM4EHSD17B10TSHRPKMALDH1A1
SCHEMBL2776006 0.76 KDM4E (0.62) KDM4EHSD17B10TSHRPKMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170098783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2017-04-06 US disclosed
US-20170098783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2017-04-06 US disclosed
EP-3070092-A1 3-PHENYL-THIAZOLO[3,2-A]BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND FOR THE MANIPULATION OF CULTURED ALDEHYDE DEHYDROGENASE 1 (ALDH-1) POSITIVE CANCER CELLS King Saud University (SA) 2016-09-21 EP 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-20170098783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES EED, EML4, MT-ND4L KDM4E 2196/4885HSD17B10 3823/4885TSHR 4558/4885

“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.