SCHEMBL5756971

SCHEMBL5756971

c1ccc2cc(Cn3cnc(-c4ccsc4)c3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
HPGDS O60760 1/20 0.44
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5758839 0.85 HPGDS (0.59) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5757426 0.82 HPGDS (0.48) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5758744 0.82 KDM4A (0.55) CYP19A1CYP11B1CYP11B2HPGDSCYP2E1
SCHEMBL5758491 0.81 KDM4C (0.49) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5756809 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5759391 0.80 CYP11B1 (0.48) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5756781 0.80 CYP11B1 (0.48) CYP19A1CYP11B1CYP11B2HPGDSCYP2E1
SCHEMBL5758233 0.80 CYP11B1 (0.45) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4
SCHEMBL5757769 0.80 KDM4C (0.49) CYP11B1CYP11B2NPC1PDGFRBPDGFRA
SCHEMBL5754535 0.80 CYP11B1 (0.47) CYP11B1CYP11B2HPGDSCYP2E1CYP3A4

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
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP claimed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 CYP19A1 3370/4885CYP11B1 831/4885CYP11B2 1175/4885

“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.