SCHEMBL2133102

SCHEMBL2133102

COc1c(Br)cc(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TPMT P51580 1/20 0.43
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
TTR P02766 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL29686592 1.00 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29739900 0.89 TDP1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9963468 0.87 TPMT (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5038570 0.82 MAPT (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30079502 0.81 GPR35 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13113133 0.81 TPMT (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3364705 0.81 GPR35 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25196963 0.80 TDP1 (0.36) MAPTL3MBTL1POLBTDP1ALDH1A1
SCHEMBL7045447 0.79 MAPT (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22595589 0.79 TPMT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001898-A1 Heteroaryl compounds as inhibitors of TYK2/JAK1, composition and application thereof ACCRO BIOSCIENCE HK LTD (HK) 2026-01-01 US disclosed
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-02-13 US disclosed
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 CN disclosed
EP-4423086-A1 TYK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-09-04 EP disclosed
CN-116535304-B Erianin analogue, and synthetic method and application thereof 中国科学院成都生物研究所 2024-07-19 CN disclosed
WO-2024125651-A1 NOVEL ACRYLIC ACID DERIVATIVE WITH HETEROCYCLE SUBSTITUTION AND USE THEREOF 津药生物科技(天津)有限公司 2024-06-20 WO disclosed
US-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD (CN) 2024-03-28 US disclosed
WO-2024010963-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2/JAK1, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2024-01-11 WO disclosed
CN-117362343-A Compounds having selective TYK2/JAK1 inhibiting activity, pharmaceutical compositions containing the same and uses thereof 爱科诺生物医药(香港)有限公司 2024-01-09 CN disclosed
WO-2023236945-A1 PYRIDAZIN-3-CARBOXAMIDE COMPOUND AS TYK2 INHIBITOR 广州费米子科技有限责任公司 2023-12-14 WO disclosed
CN-1175247-A Steroid receptor modulator compounds and methods LIGAND PHARM INC (US) 1998-03-04 CN disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 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 (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-20240101548-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYK2, WEE2, WEE1 GRIN2D 2563/4885GRIN3B 1980/4885GRIN1 429/4885
US-20250051338-A1 TYK2 DEGRADERS AND USES THEREOF TYK2, DYRK2, DYRK1A GRIN2D 4228/4885GRIN3B 4224/4885GRIN1 3830/4885
US-20260001898-A1 Heteroaryl compounds as inhibitors of TYK2/JAK1, composition and application thereof JAK1, JAK2, TYK2 GRIN2D 1240/4885GRIN3B 1295/4885GRIN1 913/4885

“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.