SCHEMBL5111455

SCHEMBL5111455

O=C1Nc2cccc(Cl)c2C(Cc2ccc(F)c(F)c2)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.40
▸ SMARCA4 P51532 2/20 0.40
▸ PBRM1 Q86U86 2/20 0.40
▸ CNR1 P21554 4/20 0.38
▸ TNF P01375 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DAO P14920 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
SCHEMBL5114291 0.82 CNR1 (0.35) CNR1TNFHDAC2HDAC8HDAC6
SCHEMBL5119433 0.76 HTR5A (0.47) SMARCA2SMARCA4PBRM1ALDH1A1TP53
SCHEMBL5114490 0.76 PGR (0.38) —
SCHEMBL5111570 0.68 HTR5A (0.46) SMARCA2SMARCA4PBRM1TP53
SCHEMBL5117969 0.68 PBRM1 (0.41) SMARCA2SMARCA4PBRM1ALDH1A1TP53
SCHEMBL8249643 0.66 KDM4E (0.46) HDAC2HDAC8HDAC6ALDH1A1TP53
SCHEMBL5118402 0.65 PBRM1 (0.38) SMARCA2SMARCA4PBRM1ALDH1A1TP53
SCHEMBL11040506 0.64 CA2 (0.47) SMARCA2SMARCA4PBRM1ALDH1A1TP53
SCHEMBL30525239 0.63 MAOB (0.36) —
SCHEMBL30525241 0.63 ADORA2A (0.36) ADORA2A

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-7442696-B2 Mineralocorticoid receptor modulator compounds, processes for their preparation, and their uses LIGAND PHARMACEUTICALS, INC. (US) 2008-10-28 — — US disclosed
US-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES LIGAND PHARMACEUTICALS INC. 2007-08-23 — — US disclosed
WO-2006010142-A2 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 2006-01-26 — — 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-20070197520-A1 MINERALOCORTICOID RECEPTOR MODULATOR COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND THEIR USES NR3C2, MC2R, NR3C1 SMARCA2 3346/4885SMARCA4 3200/4885PBRM1 2599/4885

“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.

Send feedback