SCHEMBL6387593

SCHEMBL6387593

Fc1cccc2c1CCc1ccncc1C2N=C=S

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.34
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL6384474 0.88 ADRA2A (0.39) CHRNB2CHRNA4CHRNA7CYP19A1CYP11B1
SCHEMBL6388120 0.83 CHRNB2 (0.39) KDM4CCHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL14309671 0.77 CHRNB2 (0.38) KDM4CCHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL6385324 0.77 CYP19A1 (0.40) KDM4CCHRNB2CHRNA4CHRNA7CYP19A1
SCHEMBL4701299 0.69 RET (0.42) CYP11B2
SCHEMBL3207675 0.67 IDO1 (0.43) KDM4CCHRNB2CHRNA4CHRNA7
SCHEMBL4701474 0.67 IDO1 (0.43) KDM4CCHRNB2CHRNA4CHRNA7
SCHEMBL6391836 0.64 CYP11B1 (0.44) KDM4CCYP19A1CYP11B1CYP11B2
SCHEMBL6391832 0.64 CYP11B1 (0.44) KDM4CCYP19A1CYP11B1CYP11B2
SCHEMBL6385703 0.63 CYP2D6 (0.40) KDM4CCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — US disclosed
EP-1458684-A2 THERAPEUTIC HETEROCYCLES AstraZeneca AB (SE) 2004-09-22 — — EP disclosed
WO-2003051276-A2 THERAPEUTIC HETEROCYCLES ASTRAZENECA AB (SE) 2003-06-26 — — 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 KDM4C 1795/4885CHRNB2 728/4885CHRNA4 700/4885

“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.

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