SCHEMBL12896171

SCHEMBL12896171

CC(C)c1sc2ccc([N+](=O)[O-])cc2c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MCL1 Q07820 2/20 0.39
▸ EGFR P00533 2/20 0.39
▸ AHR P35869 1/20 0.39
▸ SAE1 Q9UBE0 1/20 0.39
▸ UBA2 Q9UBT2 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CRHBP P24387 1/20 0.38

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
SCHEMBL11118149 0.76 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL13698355 0.70 EGFR (0.47) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL4971175 0.70 RIPK1 (0.52) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL12868738 0.70 TXNRD1 (0.41) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL5115377 0.69 PARP1 (0.51) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL23612353 0.69 MAPT (0.46) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL30061649 0.69 MAPT (0.46) SMN1; SMN2POLBLMNAMAPTHTT
Methane SCHEMBL27594830 0.68 MAPT (0.50) SMN1; SMN2POLBLMNAMAPTHTT
SCHEMBL11714259 0.68 HSPB1 (0.47) SMN1; SMN2POLBMAPTHTTTDP1
SCHEMBL11160019 0.68 MAPT (0.54) SMN1; SMN2POLBMAPTHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 — — 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A SMN1; SMN2 1925/4885POLB 2092/4885LMNA 3768/4885

“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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