SCHEMBL6601865

SCHEMBL6601865

NCC(CNc1cc(=O)c2ccccc2[nH]1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CTSV O60911 1/20 0.41
LMNA P02545 1/20 0.41
TUBB4A P04350 1/20 0.41
TP53 P04637 1/20 0.41
TUBB P07437 1/20 0.41
CTSL P07711 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TUBA1A Q71U36 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
Hydrochloric Acid SCHEMBL6601461 0.99 MARS1 (0.42) MARS1KDM4EHPGDHSD17B10CTSV
SCHEMBL7811213 0.79 MARS1 (0.42) MARS1CYP1A2GAA
Hydrochloric Acid SCHEMBL7817827 0.78 MARS1 (0.42) MARS1CYP1A2GAA
Hydrochloric Acid SCHEMBL7992728 0.77 CTSV (0.41) MARS1CTSVCTSLCYP1A2GAA
Hydrochloric Acid SCHEMBL7995914 0.75 MARS1 (0.54) MARS1KDM4ECYP1A2GAA
SCHEMBL6606280 0.75 MARS1 (0.37) MARS1LMNANPSR1GAAMEN1
SCHEMBL6606275 0.73 HTR2C (0.41) MARS1LMNAALDH1A1CHRNA7KMT2A
Hydrochloric Acid SCHEMBL5669755 0.73 MARS1 (0.58) MARS1
Ammonia Solution, Strong SCHEMBL5667906 0.73 MARS1 (0.58) MARS1
Hydrochloric Acid SCHEMBL7992242 0.72 MARS1 (0.57) MARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053963-A1 Urotensin-II receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1351687-A4 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1351687-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-15 EP disclosed
WO-2002047456-A2 UROTENSIN-II RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-20 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-20040053963-A1 Urotensin-II receptor antagonists UTS2R, NTSR2, TMPRSS2 MARS1 2103/4885KDM4E 4766/4885HPGD 597/4885

“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.