SCHEMBL4971995

SCHEMBL4971995

COc1cc(O)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GALR3 O60755 1/20 0.47
CYP3A4 P08684 1/20 0.47
ERN1 O75460 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX5 P09917 1/20 0.45
AMY1A P0DUB6 1/20 0.42
GPR35 Q9HC97 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
SCHEMBL30313219 1.00 MEN1 (0.49) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL309863 0.86 LMNA (0.61) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL8008016 0.86 PTGS1 (0.59) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL4974489 0.83 MEN1 (0.40) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL11027196 0.80 MEN1 (0.52) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL69389 0.79 ALDH1A1 (0.60) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL9265700 0.79 ALDH1A1 (0.60) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL593064 0.79 CYP19A1 (0.62) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10165092 0.78 TSHR (0.65) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL16952226 0.78 ALOX5 (0.50) MEN1KMT2AHTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250325673-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-10-23 US disclosed
EP-4631573-A2 TEAD INHIBITORS Orion Corporation (FI) 2025-10-15 EP disclosed
EP-4323338-B1 TEAD INHIBITORS ORION CORP (FI) 2025-10-08 EP disclosed
EP-4613773-A2 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-3731869-B1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-01-02 US disclosed
US-12168057-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2024-12-17 US disclosed
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 US disclosed
CN-118724855-A Coumarin HDAC6 inhibitor and preparation method and application thereof 四川卫生康复职业学院 2024-10-01 CN disclosed
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 US disclosed
US-20140296208-A1 KINASE INHIBITORS TOPIVERT PHARMA LIMITED (GB) 2014-10-02 US disclosed
WO-2014076484-A1 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2014-05-22 WO disclosed
US-20080015222-A1 New Heterocyclic Amides ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1797067-A1 NEW HETEROCYCLIC AMIDES AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033620-A1 NEW HETEROCYCLIC AMIDES ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US disclosed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 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 (9 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-20250325673-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MEN1 4055/4885KMT2A 445/4885HTT 2464/4885
US-20080015222-A1 New Heterocyclic Amides AADAC, AVPR2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 1446/4885KMT2A 2077/4885HTT 552/4885
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885HTT 2932/4885
US-20250000985-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MEN1 4055/4885KMT2A 445/4885HTT 2464/4885
US-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 MEN1 2064/4885KMT2A 2364/4885HTT 3852/4885
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 MEN1 3687/4885KMT2A 1519/4885HTT 2953/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 MEN1 4867/4885KMT2A 4618/4885HTT 2932/4885
US-12168057-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 MEN1 4055/4885KMT2A 445/4885HTT 2464/4885
US-20140296208-A1 KINASE INHIBITORS SYK, LYN, BTK MEN1 4275/4885KMT2A 1737/4885HTT 4796/4885

“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.