SCHEMBL28401102

SCHEMBL28401102

Nc1cccc(F)c1OB(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PREP P48147 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC6A2 P23975 2/20 0.31
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERN1 O75460 1/20 0.31
HTR1A P08908 1/20 0.30
SLC6A4 P31645 1/20 0.30
HDAC1 Q13547 1/20 0.30
SCN9A Q15858 1/20 0.30
PIK3CA P42336 1/20 0.30

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
SCHEMBL615196 0.85 CES2 (0.37) CES2CES1SLC6A2ERN1HTR1A
SCHEMBL28991597 0.83 KDM4E (0.32) KDM4EMAPTCRHBPCRHR2PREP
SCHEMBL29112947 0.81 ALDH1A1 (0.33) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL23272973 0.78 CA2 (0.36) KDM4EMAPTCES2CES1CYP3A4
SCHEMBL29263394 0.76 CA1 (0.35) CES2CES1ALDH1A1HPGDHSD17B10
SCHEMBL31096182 0.76 HTT (0.33) CES2CES1ERN1
SCHEMBL28855192 0.76 HTR1A (0.40) SLC6A2HTR1ASLC6A4
SCHEMBL4098184 0.73 KMT2A (0.46) KDM4EMAPTCYP3A4ALDH1A1HPGD
SCHEMBL29158156 0.73 ERN1 (0.53) CES2CES1ALDH1A1HPGDTDP1
SCHEMBL30050189 0.73 KMT2A (0.46) KDM4EMAPTCYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2025-12-16 US disclosed
EP-4253376-B1 SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2025-07-30 EP disclosed
US-20240325394-A1 SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-10-03 US disclosed
EP-4253376-A1 SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-10-04 EP disclosed
CN-116003405-A Inhibitors of KRAS G12C and methods of use thereof 美国安进公司 2023-04-25 CN disclosed
US-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2022-07-07 US disclosed
EP-3978490-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-04-06 EP disclosed
CN-111051306-A Inhibitors of KRAS G12C and methods of use thereof 美国安进公司 2020-04-21 CN 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-20220213100-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, GNAQ KDM4E 3400/4885MAPT 4111/4885CRHBP 2539/4885
US-20240325394-A1 SALT AND CRYSTAL FORM OF NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF KRAS, NRAS, HRAS KDM4E 4429/4885MAPT 2247/4885CRHBP 3085/4885
US-12497396-B2 Nitrogen-containing heterocyclic derivatives, method therefor and application therefor as inhibitors of KRAS G12C for the treatment of cancers KRAS, NRAS, GNAQ KDM4E 3994/4885MAPT 4113/4885CRHBP 3067/4885

“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.