SCHEMBL20477136

SCHEMBL20477136

O=[N+]([O-])c1cc(C(F)(F)F)cc(Br)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 2/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HIF1A Q16665 1/20 0.58
TXNRD1 Q16881 1/20 0.58
TXNRD3 Q86VQ6 1/20 0.58
TXNRD2 Q9NNW7 1/20 0.58
PTPN5 P54829 1/20 0.49
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.42
PLK1 P53350 2/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL29804806 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL6203515 0.87 ALDH1A1 (0.68) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL9341566 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL1193184 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL30568369 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL2654731 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL11444409 0.81 ALDH1A1 (0.66) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL10862632 0.81 ALDH1A1 (0.77) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL8331928 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRHPGD
SCHEMBL29805021 0.79 CYP3A4 (0.68) ALDH1A1CYP3A4TDP1TSHRHPGD

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-20250353842-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORP (US) 2025-11-20 US disclosed
WO-2023250430-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-12-28 WO disclosed
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
WO-2018147626-A1 NOVEL HETEROCYCLIC COMPOUND, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-08-16 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-20250353842-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 ALDH1A1 4341/4885CYP3A4 3273/4885TDP1 1132/4885
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS ALDH1A1 2364/4885CYP3A4 2093/4885TDP1 317/4885

“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.