SCHEMBL4971175

SCHEMBL4971175

CC(C)c1nc2cc([N+](=O)[O-])ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 1/20 0.50
▸ ACP1 P24666 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL5968564 0.88 RIPK1 (0.50) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL12591891 0.88 SMN1; SMN2 (0.66) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL84324 0.80 SMN1; SMN2 (0.77) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL23926457 0.78 RIPK1 (0.53) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL2002714 0.76 RIPK1 (0.52) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL482233 0.76 ALDH1A1 (0.77) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL31219335 0.76 ALDH1A1 (0.77) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL617121 0.76 RIPK1 (0.52) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL29361660 0.76 RIPK1 (0.52) RIPK1SMN1; SMN2HTTACP1ALDH1A1
SCHEMBL1066924 0.76 RIPK1 (0.66) RIPK1SMN1; SMN2HTTACP1ALDH1A1

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
US-8247556-B2 Method for preparing 6-substituted-7-aza-indoles AMGEN INC. (US) 2012-08-21 — — US disclosed
EP-1971604-B1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC (US) 2012-08-01 — — EP disclosed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 — — US disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 — — 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS RIPK1 3959/4885SMN1; SMN2 2119/4885HTT 1908/4885

“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.

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