SCHEMBL10126809

SCHEMBL10126809

Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 7/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
PNMT P11086 2/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL994308 0.84 HTT (0.80) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL1046567 0.84 HTT (0.67) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL1046568 0.84 HTT (0.67) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL18186283 0.83 HTT (0.66) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL28322852 0.83 ALDH1A1 (0.70) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL10126813 0.83 ALDH1A1 (0.49) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL31453591 0.82 ALDH1A1 (0.50) HTTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6052095 0.82 ALDH1A1 (0.73) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL10036393 0.82 HTT (0.64) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL6052093 0.82 ALDH1A1 (0.73) HTTL3MBTL1ALDH1A1LMNAGAA

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-20240010655-A1 DIHYDROIMIDAZO PYRIMIDO PYRIMIDINONE COMPOUND Impact Therapeutics (Shanghai), Inc (CN) 2024-01-11 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (3 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTT 3739/4885L3MBTL1 1714/4885ALDH1A1 1554/4885
US-20240010655-A1 DIHYDROIMIDAZO PYRIMIDO PYRIMIDINONE COMPOUND WEE1, WEE2, NME1 HTT 4474/4885L3MBTL1 2766/4885ALDH1A1 1177/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HTT 3739/4885L3MBTL1 1714/4885ALDH1A1 1554/4885

“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.