SCHEMBL3798822

SCHEMBL3798822

CC(C)CSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALPG P10696 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ CRBN Q96SW2 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ KDM4C Q9H3R0 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
SCHEMBL11294731 0.87 PDE7A (0.45) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL10024451 0.81 PDE7A (0.40) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL18614898 0.80 PDE7A (0.51) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3386571 0.80 MEN1 (0.53) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11136486 0.79 PDE7A (0.38) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL1340033 0.79 TSHR (0.51) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7293883 0.78 PDE7A (0.53) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL18814844 0.78 TSHR (0.49) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL16702310 0.78 ALDH1A1 (0.39) PDE7ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL11292807 0.77 MAPT (0.49) MAPTALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018127184-A1 ANAPLASTIC LYMPHOMA KINASE INHIBITOR AND PREPARATION METHOD AND USE THEREOF 北京赛林泰医药技术有限公司 2018-07-12 — — WO disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 — — US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 — — EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 — — WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 — — WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 — — 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-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK PDE7A 864/4885SMN1; SMN2 671/4885MAPT 2500/4885

“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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