SCHEMBL21543096

SCHEMBL21543096

C=C(C)c1cc([N+](=O)[O-])cc(C)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GPR35 Q9HC97 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GALR3 O60755 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL18651053 0.87 ALDH1A1 (0.42) MAPTKMT2AMEN1HPGDNPSR1
SCHEMBL31453237 0.78 ALDH1A1 (0.40) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL26535890 0.77
SCHEMBL18146192 0.76 MAPT (0.39) MAPTKMT2AMEN1HPGDNPSR1
SCHEMBL20045671 0.76 ALDH1A1 (0.43) MAPTKMT2AMEN1NPSR1ALDH1A1
SCHEMBL19776216 0.72 GPR35 (0.44) MAPTKMT2AMEN1HPGDNPSR1
SCHEMBL1163011 0.72 ALDH1A1 (0.43) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL21543384 0.69 ALDH1A1 (0.47) MAPTKMT2AMEN1ALDH1A1GPR35
SCHEMBL22126762 0.69 HTT (0.37) MAPTKMT2AMEN1HPGDALDH1A1
SCHEMBL31071647 0.69 HTT (0.37) MAPTKMT2AMEN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
EP-3788038-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME Amgen Inc. (US) 2021-03-10 EP disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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 (7 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS MAPT 4273/4885KMT2A 2069/4885MEN1 296/4885

“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.