SCHEMBL7084334

SCHEMBL7084334

COC(=O)c1ccc(F)c(-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.64
CYP11B2 P19099 2/20 0.64
CYP19A1 P11511 1/20 0.64
ABL1 P00519 4/20 0.60
SLC2A1 P11166 1/20 0.60
ALDH1A1 P00352 1/20 0.56
NEK1 Q96PY6 1/20 0.53
BCR P11274 1/20 0.51
SRC P12931 1/20 0.51
ABCB1 P08183 3/20 0.50
ROCK2 O75116 2/20 0.50
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
CFTR P13569 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL7379809 0.82 KMO (0.62) CYP11B1CYP11B2ABL1ALDH1A1BCR
SCHEMBL18355729 0.81 MKNK1 (0.76) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL2127568 0.80 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL2143386 0.80 CYP11B1 (0.60) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL1399775 0.80 CYP19A1 (0.74) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL2345607 0.79 CYP19A1 (0.74) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL12365981 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL3511516 0.78 CYP19A1 (0.68) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL10028698 0.78 CYP19A1 (0.68) CYP11B1CYP11B2CYP19A1ABL1SLC2A1
SCHEMBL4509922 0.78 CYP11B2 (1.00) CYP11B1CYP11B2CYP19A1ABL1SLC2A1

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-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

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 CYP11B1 929/4885CYP11B2 710/4885CYP19A1 2384/4885

“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.