SCHEMBL21543384

SCHEMBL21543384

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
CYP3A4 P08684 5/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 2/20 0.45
GPR35 Q9HC97 2/20 0.45
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL951664 0.81 KDM4E (0.58) ALDH1A1CYP3A4TDP1LMNAGPR35
SCHEMBL3600387 0.80 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1LMNAGPR35
SCHEMBL26039094 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4TDP1LMNAGPR35
SCHEMBL4195883 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1LMNAGPR35
Ammonia Solution, Strong SCHEMBL18174171 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1LMNAGPR35
SCHEMBL23509618 0.76 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1GPR35HTT
SCHEMBL14356236 0.75 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1LMNAGPR35
SCHEMBL23113517 0.75 MEN1 (0.47) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL2119829 0.74 ALDH1A1 (0.62) ALDH1A1CYP3A4TDP1GPR35HTT
SCHEMBL6672266 0.73 ALDH1A1 (0.63) ALDH1A1CYP3A4TDP1LMNAGPR35

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 11 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
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

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 ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885CYP3A4 4739/4885TDP1 3096/4885

“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.