SCHEMBL4112149

SCHEMBL4112149

Cc1ccc2[nH]c(=O)cc(CBr)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
AR P10275 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL9157725 0.87 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL23118890 0.83 ALDH1A1 (0.49) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL8210777 0.83 KMT2A (0.50) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL29792700 0.81 LMNA (0.47) ALDH1A1MAPTPKMHSD17B10SMN1; SMN2
SCHEMBL13326518 0.81 LMNA (0.47) ALDH1A1MAPTPKMHSD17B10SMN1; SMN2
SCHEMBL9152213 0.81 ALDH1A1 (0.48) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL9766056 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTPKMHSD17B10
SCHEMBL28402937 0.80 LMNA (0.60) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL30041447 0.80 LMNA (0.60) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9766147 0.80 ALDH1A1 (0.60) KDM4EALDH1A1MAPTPKMHSD17B10

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
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 KDM4E 3053/4885ALDH1A1 1044/4885MAPT 4128/4885

“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.