SCHEMBL7947429

SCHEMBL7947429

O=C(NCc1ccccc1)c1[nH]c(=O)c2ccccc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PTGS2 P35354 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 7/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 2/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ADORA2A P29274 1/20 0.46
IMPDH2 P12268 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7950129 0.82 HPGD (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7947413 0.76 CNR1 (0.54) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL10204429 0.73 ALDH1A1 (0.69) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL15336463 0.71 KDM4E (0.69) KMT2AMEN1RXFP1KDM4EALDH1A1
SCHEMBL7940514 0.71 CA12 (0.61) KMT2AMEN1RXFP1KDM4EALDH1A1
SCHEMBL4930061 0.71 MMP13 (0.65) PKM
SCHEMBL7944777 0.70 SERPINE1 (0.49) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL6353285 0.69 GAA (0.72) KMT2AMEN1RXFP1KDM4EALDH1A1
SCHEMBL2322433 0.68 NCEH1 (0.60) KMT2APTGS2ALDH1A1HPGDLMNA
SCHEMBL13598032 0.68 KMT2A (1.00) KMT2AMEN1RXFP1KDM4EALDH1A1

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
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 KMT2A 3970/4885MEN1 1362/4885RXFP1 4607/4885

“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.