SCHEMBL6214280

SCHEMBL6214280

O=[C]c1cc([N+](=O)[O-])c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
GLA P06280 1/20 0.48
CYP19A1 P11511 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 3/20 0.37
VCAM1 P19320 1/20 0.36
CYP3A4 P08684 2/20 0.34
NAMPT P43490 1/20 0.34
XDH P47989 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32

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
SCHEMBL8871183 0.82 VCAM1 (0.48) ALDH1A1GLACYP19A1TSHRLMNA
SCHEMBL11327883 0.71 ALDH1A1 (0.53) ALDH1A1GLACYP19A1TSHRLMNA
SCHEMBL8297342 0.71
SCHEMBL16423006 0.70
SCHEMBL31439386 0.70
SCHEMBL9119505 0.70
SCHEMBL5409921 0.67 ALDH1A1 (0.48) ALDH1A1GLACYP19A1TSHRLMNA
SCHEMBL3293088 0.67 ALDH1A1 (0.63) ALDH1A1GLATSHRLMNACYP3A4
SCHEMBL23612095 0.65 ALDH1A1 (0.47) ALDH1A1GLACYP19A1TSHRLMNA
SCHEMBL10651010 0.65 ALDH1A1 (0.61) ALDH1A1GLACYP19A1TSHRVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018100484-A1 PHARMACEUTICAL COMPOUNDS UNIVERSITY OF KWAZULU-NATAL (ZA) 2018-06-07 WO claimed
WO-2018100484-A1 PHARMACEUTICAL COMPOUNDS UNIVERSITY OF KWAZULU-NATAL (ZA) 2018-06-07 WO disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ALDH1A1 14/4885GLA 2964/4885CYP19A1 28/4885

“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.