SCHEMBL9107612

SCHEMBL9107612

CC(C)Oc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 2/20 0.49
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
MAPT P10636 2/20 0.45
PDK1 Q15118 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
DTYMK P23919 1/20 0.43
RXRA P19793 1/20 0.43
HTR2A P28223 1/20 0.42
HCAR3 P49019 1/20 0.41

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
SCHEMBL6164746 0.88 ALDH1A1 (0.63) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL20589790 0.85 CRHBP (0.49) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL9300807 0.84 EIF4E (0.47) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL147187 0.84 AKR1C3 (0.63) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
Methyl Alcohol SCHEMBL28009562 0.83 ALDH1A1 (0.49) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
Hydrochloric Acid SCHEMBL11773334 0.83 AKR1C3 (0.61) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL15440376 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL1791669 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL9940716 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTPDK1MEN1
SCHEMBL2617463 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AAKR1C3AKR1C2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060060-A Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-12-03 CN disclosed
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-11-14 US disclosed
CN-110913855-B Imidazole-containing ALK2 kinase inhibitors 拜奥克里斯特制药公司 2024-09-03 CN disclosed
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2024-08-06 US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 US disclosed
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2022-10-20 US disclosed
EP-3638229-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE Biocryst Pharmaceuticals, Inc. (US) 2020-04-22 EP disclosed
WO-2018232094-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE BIOCRYST PHARMACEUTICALS, INC. (US) 2018-12-20 WO disclosed
EP-2646417-A1 KAT II INHIBITORS Pfizer Inc (US) 2013-10-09 EP disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
US-8487104-B2 KAT II inhibitors PFIZER INC. (US) 2013-07-16 US disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
WO-2012073146-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 WO disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US disclosed
US-20120142729-A1 KAT ll INHIBITORS PFIZER INC. 2012-06-07 US 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 (6 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KMT2A 906/4885AKR1C3 1484/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KMT2A 906/4885AKR1C3 1484/4885
US-20240376117-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KMT2A 906/4885AKR1C3 1484/4885
US-20220332723-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KMT2A 906/4885AKR1C3 1484/4885
US-12054492-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KMT2A 906/4885AKR1C3 1484/4885
US-20120142729-A1 KAT ll INHIBITORS KAT7, KAT2A, KATNA1 ALDH1A1 2408/4885KMT2A 68/4885AKR1C3 3233/4885

“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.