SCHEMBL7797707

SCHEMBL7797707

CSc1nc(Cl)cc(Oc2ccc3c(c2)OCO3)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
NOS2 P35228 6/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAOB P27338 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAOA P21397 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL7800572 0.91 ALDH1A1 (0.49) ALDH1A1MAPK1NOS2KMT2AMEN1
SCHEMBL7800581 0.79 KMT2A (0.41) ALDH1A1MAPK1NOS2KMT2AMEN1
SCHEMBL6625062 0.78 MEN1 (0.59) ALDH1A1MAPK1KMT2AMEN1HTT
SCHEMBL7797718 0.77 TSHR (0.38) ALDH1A1MAPK1NOS2KMT2AMEN1
SCHEMBL23884161 0.75 MEN1 (0.50) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL6623348 0.75 MEN1 (0.69) ALDH1A1MAPK1KMT2AMEN1HTT
SCHEMBL6626527 0.75 TSHR (0.45) ALDH1A1MAPK1KMT2AMEN1HTT
SCHEMBL19808935 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1NOS2KMT2AMAOB
SCHEMBL11383417 0.73 ALDH1A1 (0.48) ALDH1A1MAPK1NOS2KMT2AMEN1
SCHEMBL6625940 0.73 MEN1 (0.58) ALDH1A1MAPK1KMT2AMEN1HTT

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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS, INC. 2001-08-16 US disclosed
US-6265428-B1 VASODILATION TEXAS BIOTECHNOLOGY CORPORATION 2001-07-24 US disclosed
US-5977117-A Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-11-02 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 (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-20010014694-A1 Substituted phenyl compounds and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, NPR1 ALDH1A1 4421/4885MAPK1 979/4885NOS2 580/4885

“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.