SCHEMBL16636771

SCHEMBL16636771

O=Cc1c([N+](=O)[O-])cc(Br)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KIF11 P52732 1/20 0.35
AR P10275 4/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CES2 O00748 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
SCHEMBL31423225 0.78 ERN1 (0.51) ERN1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL30152587 0.78 ALDH1A1 (0.53) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL1562254 0.78 ALDH1A1 (0.41) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL2313846 0.78 ALDH1A1 (0.53) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL16637008 0.78 ERN1 (0.51) ERN1ALDH1A1CYP3A4ALOX15HIF1A
SCHEMBL16636941 0.77 ALDH1A1 (0.38) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL16636956 0.77 CYP1A2 (0.47) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL27001787 0.77 ERN1 (0.54) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL7750583 0.77 ALDH1A1 (0.56) ERN1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL4046756 0.75 ALDH1A1 (0.47) ERN1ALDH1A1CYP3A4HPGDALOX15

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743078-A2 APOL1 INHIBITORS AND METHODS OF USE Maze Therapeutics, Inc. (US) 2026-05-20 EP disclosed
EP-4724436-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING Remix Therapeutics Inc. (US) 2026-04-15 EP disclosed
US-20260008770-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LTD (HK) 2026-01-08 US disclosed
EP-4558504-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF Insilico Medicine IP Limited (HK) 2025-05-28 EP disclosed
CN-119630662-A CBL-B inhibitors and methods of use thereof 英矽智能科技知识产权有限公司 2025-03-14 CN disclosed
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
WO-2025015104-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
WO-2024259017-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-12-19 WO disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 WO disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
CN-106488910-A Inhibitors of kras g12c 亚瑞克西斯制药公司 2017-03-08 CN disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (4 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-20260008770-A1 CBL-B INHIBITORS AND METHODS OF USES THEREOF CBL, CBLC, CBLB ERN1 1744/4885ALDH1A1 2038/4885CYP3A4 4012/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ERN1 2526/4885ALDH1A1 3870/4885CYP3A4 4449/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 1177/4885ALDH1A1 4009/4885CYP3A4 2066/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885ALDH1A1 4178/4885CYP3A4 3708/4885

“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.