SCHEMBL4887461

SCHEMBL4887461

CCOC(=O)c1c(-c2ccc3[nH]ccc3c2)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.51
PLA2G2A P14555 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ELANE P08246 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
PGR P06401 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
SCHEMBL4887465 0.88 AR (0.50) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL4893680 0.87 AR (0.60) ARPLA2G2AMEN1KMT2AELANE
SCHEMBL4893850 0.86 PLA2G2A (0.46) PLA2G2AKMT2APOLBMAPTKDM4E
SCHEMBL4884093 0.85 AR (0.58) ARPLA2G2AMEN1KMT2AELANE
SCHEMBL4891631 0.83 AR (0.56) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL4892207 0.79 PLA2G2A (0.58) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL5428229 0.77 AR (0.61) ARPLA2G2AMEN1KMT2APOLB
SCHEMBL6858317 0.74 ELANE (0.51) ARPLA2G2AKMT2AELANEMAPT
SCHEMBL4893855 0.74 HRH3 (0.48) PLA2G2AMEN1KMT2AMAPTKDM4E
SCHEMBL4893267 0.74 MAPT (0.69) ARMEN1KMT2AELANEMAPT

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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US 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 (2 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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 AR 877/4885PLA2G2A 3606/4885MEN1 3530/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 AR 877/4885PLA2G2A 3606/4885MEN1 3530/4885

“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.