SCHEMBL16636901

SCHEMBL16636901

O=C(O)c1c(F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
GPR35 Q9HC97 1/20 0.44
ERN1 O75460 1/20 0.42
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
FBP1 P09467 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
ACLY P53396 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL29042944 0.85 ERN1 (0.41) CA1CA2GPR35ERN1AKR1C2
SCHEMBL5430282 0.85 DGAT1 (0.42) CA1CA2GPR35ERN1AKR1C2
SCHEMBL21749931 0.81 GPR35 (0.52) CA1CA2GPR35ERN1AKR1C2
SCHEMBL31057367 0.79 CA1 (0.47) CA1CA2GPR35ERN1FBP1
SCHEMBL25863193 0.79 LMNA (0.47) CA1CA2GPR35ERN1FBP1
SCHEMBL28410825 0.79 CA1 (0.47) CA1CA2GPR35ERN1FBP1
SCHEMBL11800391 0.79 TDP1 (0.56) CA1CA2GPR35ERN1FBP1
SCHEMBL516974 0.79 DGAT1 (0.42) CA1CA2GPR35AKR1C2AKR1C1
SCHEMBL31204519 0.79 CA1 (0.44) CA1CA2GPR35ERN1AKR1C2
SCHEMBL28385749 0.77 FBP1 (0.45) GPR35ERN1AKR1C2AKR1C1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
CN-116514777-B Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-07-19 CN disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-11773091-B2 6-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2023-10-03 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
CN-116514777-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2023-08-01 CN 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 (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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CA1 3550/4885CA2 1860/4885GPR35 1468/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CA1 2921/4885CA2 1657/4885GPR35 2649/4885
US-11773091-B2 6-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 CA1 4052/4885CA2 3493/4885GPR35 208/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA1 2921/4885CA2 1657/4885GPR35 2649/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA1 2639/4885CA2 1729/4885GPR35 3300/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA1 2639/4885CA2 1729/4885GPR35 3300/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA1 2639/4885CA2 1729/4885GPR35 3300/4885

“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.