SCHEMBL1046568

SCHEMBL1046568

C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)C[C@H](C)N1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
ALDH1A1 P00352 8/20 0.57
KMT2A Q03164 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 4/20 0.55
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.50
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL1046567 1.00 HTT (0.67) HTTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL31702110 0.85 ALDH1A1 (0.73) HTTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL4826536 0.85 ALDH1A1 (0.73) HTTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL10126809 0.84 HTT (0.69) HTTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL993767 0.84 HTT (0.64) HTTALDH1A1L3MBTL1LMNAGAA
SCHEMBL993768 0.84 HTT (0.64) HTTALDH1A1L3MBTL1LMNAGAA
SCHEMBL1399543 0.83 ALDH1A1 (0.58) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL994308 0.83 HTT (0.80) HTTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL1047097 0.83 ALDH1A1 (0.58) HTTALDH1A1KMT2ALMNAMAPT
SCHEMBL1047098 0.83 ALDH1A1 (0.58) HTTALDH1A1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013051672-A1 MEDICINAL AGENT COMPRISING THIAZOLIDINE DERIVATIVE OR SALT THEREOF AS ACTIVE INGREDIENT 株式会社ヤクルト本社 (JP) 2013-04-11 WO disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed
EP-2086540-B8 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-03-02 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-B1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2011-01-19 EP disclosed
EP-2086540-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES Galapagos N.V. (BE) 2009-08-12 EP disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
US-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2009-04-23 US disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 WO disclosed
WO-2008065198-A1 TRIAZOLOPYRIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-05 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-20090105242-A1 Triazolopyridine compounds useful for the treatment of degenerative & inflammatory diseases COL2A1, MMP1, COL1A1 HTT 959/4885ALDH1A1 1145/4885KMT2A 4334/4885

“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.