SCHEMBL13299014

SCHEMBL13299014

C=C1NN=C(c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ GAA P10253 4/20 0.49
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A3 P47895 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13299044 0.83 TP53 (0.44) S1PR1MAPTGAAALDH1A1L3MBTL1
SCHEMBL10149941 0.83 HTT (0.54) MAPTRAB9AGAAMAPK1LMNA
SCHEMBL13298982 0.78 MAPT (0.41) S1PR1MAPTRAB9AGAAMAPK1
SCHEMBL13299006 0.75 ALDH1A1 (0.49) MAPTRAB9AGAAMAPK1LMNA
SCHEMBL10149723 0.75 MAPT (0.41) S1PR1MAPTRAB9AGAALMNA
SCHEMBL23708632 0.74 ALDH1A1 (0.62) S1PR1MAPTRAB9AGAAMAPK1
SCHEMBL3321650 0.70 ALDH1A1 (0.55) MAPTRAB9AGAAMAPK1LMNA
SCHEMBL10149834 0.70 ALDH1A1 (0.55) MAPTRAB9AGAAMAPK1LMNA
SCHEMBL16157089 0.70 MAPT (0.67) MAPTRAB9AGAAMAPK1LMNA
SCHEMBL23850431 0.69 MAPT (0.57) MAPTRAB9AGAAMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY ANGION BIOMEDICA CORP. (US) 2010-06-03 — — US disclosed
US-7648978-B2 Modulates hepatocyte growth factor (HGF); fibrotic liver disease, hepatic ischemia-reperfusion injury, cerebral infarction, ischemic heart disease, renal disease or lung (pulmonary) fibrosis, multiple sclerosis; 4-[4-(1-homopiperidinyl)phenyl]-1-(2H)-phthalazinone ANGION BIOMEDICA CORP. (US) 2010-01-19 — — US 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-20100137285-A1 SMALL MOLECULE MODULATORS OF CYTOKINE ACTIVITY HGF, IL2, IL2RA S1PR1 344/4885MAPT 3078/4885RAB9A 928/4885

“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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