SCHEMBL7082856

SCHEMBL7082856

Nc1ccc(OCc2ccncc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MGMT P16455 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.39
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KEAP1 Q14145 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
SCHEMBL224083 0.84 MAOB (0.56) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL29561621 0.84 MAOB (0.56) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL4234692 0.81 CHRNA7 (0.47) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL29987845 0.81 CHRNA7 (0.47) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL25382254 0.81 AGXT (0.46) MEN1KMT2AKDM4ERAB9APOLB
SCHEMBL11182657 0.81 NPC1 (0.47) MEN1KMT2AKDM4ERAB9AMAOB
SCHEMBL3365264 0.81 MEN1 (0.60) MEN1KMT2AKDM4EMGMTMAOB
SCHEMBL5652119 0.81 MAOB (0.47) MEN1KMT2AKDM4ERAB9APOLB
SCHEMBL18429631 0.81 APP (0.59) CYP3A4MEN1KMT2AKDM4E
SCHEMBL30354929 0.80 MAOB (0.62) KMT2AKDM4ERAB9APOLBMAOB

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 6 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

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

“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.