SCHEMBL7526477

SCHEMBL7526477

O=C(O)COc1cccc2c1Cc1sc(SCC=Cc3ccccc3)nc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
PPARD Q03181 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGIR P43119 4/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
PTGDR Q13258 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7526474 1.00 ADORA1 (0.38) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7521756 0.91 PTGIR (0.36) KDM4EALDH1A1HPGDTDP1KMT2A
SCHEMBL7521759 0.91 PTGIR (0.36) KDM4EALDH1A1HPGDTDP1KMT2A
SCHEMBL7520563 0.84 PPARD (0.42) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7524391 0.82 PTGIR (0.40) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7523592 0.82 ADORA1 (0.36) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7523600 0.82 ADORA1 (0.36) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7521639 0.82 PTGIR (0.42) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7523413 0.80 ADORA1 (0.39) ADORA1KDM4EALDH1A1HPGDTDP1
SCHEMBL7523651 0.79 PTGIR (0.40) ADORA1KDM4EALDH1A1HPGDTDP1

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 US disclosed
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ADORA1 210/4885KDM4E 4000/4885ALDH1A1 1662/4885

“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.