SCHEMBL4659412

SCHEMBL4659412

Cc1ccc2c(Br)c(NC(=O)O)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
P2RX7 Q99572 1/20 0.40
GNG2 P59768 2/20 0.39
GNB1 P62873 2/20 0.39
HTT P42858 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IMPDH2 P12268 1/20 0.38
GALR3 O60755 1/20 0.37

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
SCHEMBL27706880 0.83 ELANE (0.44) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL4658252 0.77 MEN1 (0.46) GAAKDM4EMEN1KMT2APOLB
SCHEMBL10859020 0.77 MEN1 (0.63) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL16914973 0.77 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL4658243 0.76 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL4357760 0.74 ESR1 (0.56) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL14573267 0.73 ALDH1A1 (0.51) ALDH1A1GAAKDM4EKMT2APOLB
SCHEMBL4658361 0.73 KDM4E (0.49) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL29958140 0.72 RXFP1 (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL22798955 0.71 IMPDH2 (0.50) ALDH1A1GAAKDM4EMEN1KMT2A

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
EP-1819342-A4 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-12-17 EP disclosed
US-20070293492-A1 Quinoline Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 US disclosed
EP-1819342-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2006060390-A1 QUINOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-06-08 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-20070293492-A1 Quinoline Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 ALDH1A1 874/4885GAA 1131/4885KDM4E 2973/4885

“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.