SCHEMBL2497952

SCHEMBL2497952

O=[N+]([O-])c1c(F)cccc1-c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EIF4E P06730 1/20 0.37
MAOB P27338 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
CREBBP Q92793 1/20 0.36
STAT3 P40763 1/20 0.36
HPRT1 P00492 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TGFBR1 P36897 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH3A1 P30838 1/20 0.35
TDP2 O95551 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2493681 0.86 ALDH1A1 (0.41) NPC1RAB9AEIF4EMAOBAKR1C3
SCHEMBL2497057 0.83 HSD17B10 (0.42) NPC1RAB9AEIF4EAKR1C3AKR1C2
SCHEMBL2234399 0.81 ALDH1A1 (0.53) NPC1RAB9APTPRCAKR1C3AKR1C2
SCHEMBL28010867 0.80 ALDH1A1 (0.41) NPC1RAB9AHPRT1ALDH1A1TDP1
SCHEMBL29962750 0.78 ALDH1A1 (0.59) EIF4EMAOBPTPRCPTPN1ALDH1A1
SCHEMBL1559947 0.78 ALDH1A1 (0.59) EIF4EMAOBPTPRCPTPN1ALDH1A1
SCHEMBL27735809 0.77 NPC1 (0.43) NPC1RAB9APTPRCALDH1A1TDP1
SCHEMBL16120144 0.76 ALDH1A1 (0.51) NPC1RAB9AMAOBAKR1C3AKR1C2
SCHEMBL240574 0.75 TDP1 (0.52) NPC1RAB9AALDH1A1TDP1HIF1A
SCHEMBL2500048 0.75 ALDH1A1 (0.41) NPC1RAB9AALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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 (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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 NPC1 2519/4885RAB9A 1678/4885EIF4E 4475/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 NPC1 1656/4885RAB9A 1475/4885EIF4E 4519/4885

“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.