SCHEMBL1317569

SCHEMBL1317569

Nc1nc(Cl)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DTYMK P23919 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CASP6 P55212 1/20 0.38
GPR35 Q9HC97 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
DHFR P00374 1/20 0.36
SLC25A1 P53007 1/20 0.36
VCAM1 P19320 1/20 0.36
EIF4E P06730 2/20 0.36

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
Hydrochloric Acid SCHEMBL10553172 0.83 KEAP1 (0.51) ALDH1A1DTYMKCYP1A2CYP2D6CYP2C19
SCHEMBL20476371 0.82 PDGFRB (0.45) ALDH1A1LMNATDP1VCAM1MAPT
SCHEMBL31482906 0.81 TSHR (0.45) ALDH1A1TDP1DTYMKTSHRKEAP1
SCHEMBL19149059 0.81 TSHR (0.45) ALDH1A1TDP1DTYMKTSHRKEAP1
SCHEMBL1314588 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4LMNAALOX15TDP1
SCHEMBL22666874 0.75 SLC9A1 (0.46) ALDH1A1CYP3A4LMNATDP1TSHR
SCHEMBL29795353 0.75 SLC9A1 (0.46) ALDH1A1CYP3A4LMNATDP1TSHR
SCHEMBL8566616 0.75 LMNA (0.42) ALDH1A1CYP3A4LMNAALOX15TDP1
SCHEMBL8566611 0.75 LMNA (0.42) ALDH1A1CYP3A4LMNAALOX15TDP1
SCHEMBL27772700 0.75 TSHR (0.46) ALDH1A1TDP1DTYMKTSHRKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 ALDH1A1 28/4885CYP3A4 1061/4885LMNA 1149/4885

“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.