SCHEMBL3854734

SCHEMBL3854734

COc1ccc(C(=O)N2c3ccccc3-c3ccc(F)cc3C2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
P2RY1 P47900 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL3855280 0.92 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL3855301 0.91 GAA (0.44) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3860835 0.89 KMT2A (0.49) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3854629 0.87 KMT2A (0.49) KMT2AMEN1CRHBPCRHR2TSHR
SCHEMBL3861316 0.87 KMT2A (0.49) KMT2AMEN1CRHBPCRHR2TSHR
SCHEMBL3855293 0.86 P2RY1 (0.45) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3855286 0.86 CPS1 (0.43) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL3854933 0.86 CPS1 (0.50)
SCHEMBL3856141 0.86 TSHR (0.45) ALDH1A1RAB9AKMT2AMEN1LMNA
SCHEMBL3855534 0.85 TSHR (0.45) SMN1; SMN2HPGDKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
EP-1784391-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE EXPRESSION MODULATORS Wyeth (US) 2007-05-16 EP disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US disclosed
WO-2006028875-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE MODULATORS WYETH (US) 2006-03-16 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-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 ALDH1A1 985/4885SMN1; SMN2 4530/4885NPC1 1434/4885

“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.