SCHEMBL7078069

SCHEMBL7078069

CC(C)(C)c1ccc(NC(=O)Oc2ccccc2)cc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
ROCK2 O75116 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7079643 0.83 POLB (0.60) PORCNHTR2AHTR2CHTR2BROCK2
SCHEMBL7084050 0.83 POLB (0.53) PORCNHTR2AHTR2CHTR2BROCK2
SCHEMBL1568942 0.80 PORCN (0.60) PORCNROCK2ALDH1A1MAPTCYP1A2
SCHEMBL7945550 0.79 PORCN (0.49) PORCNROCK2ALDH1A1MAPTCYP1A2
SCHEMBL7078347 0.77 PORCN (0.60) PORCNHTR2AHTR2CHTR2BROCK2
SCHEMBL7078078 0.76 PORCN (0.56) PORCNROCK2ALDH1A1MAPTCYP11B1
SCHEMBL7082691 0.76 EGFR (0.53) PORCNHTR2AHTR2CHTR2BROCK2
SCHEMBL31028748 0.76 POLB (0.66) ALDH1A1MAPTCYP1A2POLBKDM4E
SCHEMBL25566441 0.76 POLB (0.66) ALDH1A1MAPTCYP1A2POLBKDM4E
SCHEMBL241619 0.75 NPC1 (0.63) ALDH1A1MAPTCYP1A2KMT2ALMNA

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 PORCN 2670/4885HTR2A 4/4885HTR2C 2/4885

“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.