SCHEMBL2442539

SCHEMBL2442539

Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ CNR1 P21554 2/20 0.51
▸ CNR2 P34972 2/20 0.51
▸ NOTUM Q6P988 5/20 0.50
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ KCNK3 O14649 2/20 0.49
▸ KCNK9 Q9NPC2 2/20 0.49
▸ NR3C2 P08235 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ MYC P01106 1/20 0.45

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
SCHEMBL1379809 0.93 MAPT (0.56) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1380816 0.92 MAPT (0.55) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1381614 0.92 LMNA (0.54) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1383455 0.92 RAB9A (0.54) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1380181 0.91 RAB9A (0.54) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1380248 0.91 TRPV1 (0.51) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1383390 0.91 MAPT (0.66) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL2031873 0.91 RAB9A (0.53) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1383364 0.91 RAB9A (0.52) MAPTALDH1A1LMNAHPGDRAB9A
SCHEMBL1382806 0.90 MAPT (0.53) MAPTALDH1A1LMNAHPGDRAB9A

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-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
CN-101006052-A Pyrrole derivatives as pharmaceutical agents EXELIXIS INC (US) 2007-07-25 — — CN 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MAPT 2014/4885ALDH1A1 2251/4885LMNA 4213/4885

“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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