SCHEMBL2419185

SCHEMBL2419185

CC(C)n1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.69
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PGR P06401 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ F2RL3 Q96RI0 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ F2R P25116 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPBWR1 P48145 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
SCHEMBL2124479 0.83 CYP19A1 (0.64) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2124481 0.83 CYP19A1 (0.64) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2420496 0.82 CYP19A1 (1.00) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2123393 0.80 CYP19A1 (0.57) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL2421702 0.78 CYP19A1 (0.69) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL23320511 0.77 CYP19A1 (0.63) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL21244768 0.77 NR1I2 (0.48) CYP19A1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL23320526 0.77 CYP19A1 (0.67) CYP19A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11703292 0.76 KMT2A (0.59) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL22004367 0.76 CYP11B1 (0.42) CYP19A1MEN1KMT2APGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049480-B1 2-ARYLINDOLE DERIVATIVES AS mPGES-1 INHIBITORS ACRAF (IT) 2013-10-30 — — EP disclosed
CN-101490000-B 2-Arylindole derivatives as mPGEs-1 inhibitors ACRAF 2012-10-03 — — CN disclosed
US-8017644-B2 2-arylindole derivatives as nPGES-1 inhibitors AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-09-13 — — US disclosed
US-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS AZIENDE CHIM. RIUN. ANG. FRANC. A.C.R.A.F. S.P.A. (IT) 2009-07-23 — — US disclosed
CN-101490000-A 2-arylindole derivatives as NPGES-1 inhibitors ACRAF (IT) 2009-07-22 — — 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-20090186922-A1 2-ARYLINDOLE DERIVATIVES AS NPGES-I INHIBITORS PTGES, NAT1, CSNK1G2 CYP19A1 636/4885MEN1 4607/4885KMT2A 1109/4885

“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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