SCHEMBL6334381

SCHEMBL6334381

O=C(O)N1CCN(c2ccc(C(Cl)=NO)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
SLC6A7 Q99884 2/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1C3 P42330 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6334379 1.00 LMNA (0.47) LMNAALDH1A1HSP90AA1KMT2APOLB
SCHEMBL5226625 0.83 LMNA (0.51) LMNAALDH1A1HSP90AA1KMT2APOLB
SCHEMBL335061 0.80 KDM4E (0.61) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL3028108 0.77 MAPT (0.69) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL632099 0.76 LMNA (0.68) LMNAALDH1A1HSP90AA1KMT2AMEN1
SCHEMBL3466014 0.74 TDP1 (0.64) LMNAALDH1A1CA12CA1CA2
SCHEMBL631962 0.74 ALDH1A1 (0.69) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL10153037 0.74 GPR119 (0.47) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL13981152 0.74 GPR119 (0.47) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL20456264 0.73 AOC2 (0.50) ALDH1A1KMT2APOLBMEN1SLC6A7

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-6869965-B2 Such as 2-methylpropyl-(4-bromo-3-fluorophenyl)carbamate PHARMACIA & UPJOHN COMPANY (US) 2005-03-22 US disclosed
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6689769-B2 BACTERICIDES PHARMACIA & UPJOHN COMPANY 2004-02-10 US disclosed
EP-1349853-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS Pharmacia & Upjohn Company (US) 2003-10-08 EP disclosed
US-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections PHARMACIA & UPJOHN COMPANY 2003-01-16 US disclosed
WO-2002059116-A2 ANTIMICROBIAL QUINOLONE DERIVATIVES AND USE OF THE SAME TO TREAT BACTERIAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 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-20030013737-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 LMNA 2176/4885ALDH1A1 933/4885HSP90AA1 303/4885
US-20040215017-A1 Antimicrobial quinolone derivatives and use of the same to treat bacterial infections BRD7, BRD1, NQO2 LMNA 2176/4885ALDH1A1 933/4885HSP90AA1 303/4885

“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.