SCHEMBL5883075

SCHEMBL5883075

CCc1cnc(CCCC=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
TRPV1 Q8NER1 2/20 0.32
HIF1A Q16665 2/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FAAH O00519 2/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL7709192 0.89 KDM4E (0.33) TSHRKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5884001 0.77 APLNR (0.47) TSHRTRPV1HIF1A
SCHEMBL4087934 0.74 NAAA (0.40) TSHRHIF1A
SCHEMBL11926437 0.73 KDM4E (0.35) TSHRHIF1AKDM4EL3MBTL1ALDH1A1
SCHEMBL5253771 0.72 TAAR1 (0.46) TSHRTRPV1HIF1AKDM4EL3MBTL1
SCHEMBL24259322 0.72 ALDH1A1 (0.34) TSHRHIF1AKDM4EALDH1A1
SCHEMBL12523721 0.71 KDM4E (0.37) TSHRHIF1AKDM4EL3MBTL1ALDH1A1
SCHEMBL830410 0.70 KDM4E (0.38) KDM4EL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL27357766 0.70 HRH3 (0.33) KDM4EL3MBTL1ALDH1A1HPGDCYP1A2
SCHEMBL21339914 0.69 SMN1; SMN2 (0.41) TSHRHIF1AKDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287338-A1 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-12-21 US disclosed
US-7122551-B2 Metalloproteinase inhibitor compounds ASTRAZENECA AB (SE) 2006-10-17 US disclosed
CN-1247547-C Piperidine and piperazine substituted N-hydroxyformamides as inhibitors of metalloproteinases ASTRAZENECA AB (SE) 2006-03-29 CN disclosed
US-20040176386-A1 Compounds ASTRAZENECA AB (SE) 2004-09-09 US disclosed
US-6734183-B2 USEFUL AS METALLOPROTEINASE INHIBITOR; PIPERAZINO-SULFONAMIDE OR PIPERIDINO-SULFONAMIDE COMPOUND ASTRAZENECA AB (SE) 2004-05-11 US disclosed
CN-1418197-A Piperidine and piperazine substituted N-hydroxycarboxamides as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2003-05-14 CN disclosed
EP-1261590-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES AstraZeneca AB (SE) 2002-12-04 EP disclosed
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 US disclosed
WO-2001062742-A1 PIPERIDINE- AND PIPERAZINE SUBSTITUTED N-HYDROXYFORMAMIDES AS INHIBITORS OF METALLOPROTEINASES ASTRAZENECA AB (SE) 2001-08-30 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 (3 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 TSHR 4597/4885TRPV1 2883/4885HIF1A 906/4885
US-20060287338-A1 Metalloproteinase inhibitor compounds TIMP3, MMP2, MMP13 TSHR 4551/4885TRPV1 4142/4885HIF1A 1188/4885
US-20040176386-A1 Compounds MMP13, MMP11, MMP3 TSHR 4597/4885TRPV1 2883/4885HIF1A 906/4885

“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.