SCHEMBL7079643

SCHEMBL7079643

COc1ccc(NC(=O)Oc2ccccc2)cc1-c1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
ABL1 P00519 1/20 0.54
PORCN Q9H237 2/20 0.53
CYP1A2 P05177 2/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
EGFR P00533 2/20 0.50
FGFR1 P11362 2/20 0.50
KDR P35968 1/20 0.50
HPSE Q9Y251 1/20 0.49
KIT P10721 1/20 0.49
PDGFRA P16234 1/20 0.49
ROCK2 O75116 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
PRKCA P17252 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL27825330 0.89 POLB (0.70) POLBPORCNCYP1A2KITPDGFRA
SCHEMBL7084050 0.84 POLB (0.53) POLBABL1PORCNCYP1A2HTR2A
SCHEMBL7078069 0.83 PORCN (0.53) POLBPORCNCYP1A2HTR2AHTR2C
SCHEMBL7082691 0.81 EGFR (0.53) POLBPORCNHTR2AHTR2CHTR2B
SCHEMBL1568942 0.81 PORCN (0.60) PORCNCYP1A2ROCK2CYP2C9KMT2A
SCHEMBL7945550 0.80 PORCN (0.49) PORCNCYP1A2ROCK2CYP11B1CYP11B2
SCHEMBL28393944 0.79 POLB (0.77) POLBCYP1A2KITPDGFRAMEN1
SCHEMBL7078347 0.78 PORCN (0.60) PORCNCYP1A2HTR2AHTR2CHTR2B
SCHEMBL7078078 0.77 PORCN (0.56) PORCNROCK2CYP11B1CYP11B2MEN1
SCHEMBL17372580 0.76 POLB (0.73) POLBCYP1A2KITPDGFRAMEN1

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-6638953-B2 Central nervous system disorders; anxiety SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-28 US disclosed
US-20030105139-A1 Indole derivatives as 5-HT receptor antagonist SMITHKLINE BEECHAM P.L.C. 2003-06-05 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0808312-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1997-11-26 EP disclosed
WO-1996023783-A1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 1996-08-08 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-20030105139-A1 Indole derivatives as 5-HT receptor antagonist HTR5A, HTR2C, HTR1A POLB 4627/4885ABL1 1217/4885PORCN 2670/4885

“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.