SCHEMBL21544091

SCHEMBL21544091

C=C(C)c1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
ERN1 O75460 2/20 0.45
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
HCAR3 P49019 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 2/20 0.42
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL1857955 0.88 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL29547015 0.78 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL382787 0.78 TSHR (0.68) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL22897801 0.77 MAPT (0.58) ALDH1A1LMNAKMT2AMEN1HPGD
SCHEMBL21544194 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL355589 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL30477963 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL31423817 0.76 HCAR3 (0.55) ALDH1A1LMNAKMT2AHTTERN1
SCHEMBL21565914 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AHTTERN1HPGD
SCHEMBL5914014 0.75 TSHR (0.68) ALDH1A1LMNAKMT2AHTTERN1

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
EP-3790886-B1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC (US) 2024-06-26 EP disclosed
US-10988485-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-04-27 US disclosed
EP-3790886-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2021-03-17 EP disclosed
US-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
WO-2019217691-A1 KRAS G12C INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2019-11-14 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 (2 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-20190345169-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885LMNA 2823/4885KMT2A 2069/4885
US-10988485-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885LMNA 2823/4885KMT2A 2069/4885

“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.