SCHEMBL1040683

SCHEMBL1040683

COC(=O)c1cc([N+](=O)[O-])c(N)c(F)c1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 4/20 0.43
ALOX15 P16050 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HCAR3 P49019 1/20 0.41
CXCR2 P25025 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL30746848 1.00 MEN1 (0.43) MEN1KMT2AHSP90AA1MAPTALOX15
SCHEMBL5740305 0.97 MEN1 (0.41) MEN1KMT2AHSP90AA1MAPTALOX15
SCHEMBL5743531 0.87 KMT2A (0.36) MEN1KMT2AHSP90AA1MAPTALOX15
SCHEMBL1076287 0.86 KMT2A (0.46) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL1077769 0.85 KMT2A (0.43) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL1039157 0.84 LMNA (0.46) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL5789975 0.84 MEN1 (0.46) MEN1KMT2AHSP90AA1MAPTALOX15
SCHEMBL27477197 0.83 SMN1; SMN2 (0.43) MEN1KMT2AMAPTAKR1C3AKR1C2
SCHEMBL4545983 0.83 MAPT (0.49) MEN1KMT2AMAPTALOX15AKR1C3
SCHEMBL2522874 0.82 PDGFRB (0.47) MEN1KMT2AHSP90AA1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6145298-A None JP disclosed
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2024-01-30 US disclosed
WO-2024003942-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SELUMETINIB SULFATE NATCO PHARMA LIMITED (IN) 2024-01-04 WO disclosed
US-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME SHENZHEN TARGETRX, INC. (CN) 2023-06-22 US disclosed
US-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME SHENZHEN TARGETRX, INC. (CN) 2023-06-22 US disclosed
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2023-02-16 US disclosed
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions CAYMAN CHEMICAL COMPANY, INC. (US) 2021-07-20 US disclosed
US-10729810-B2 Methods, systems, and compositions for promoting bone growth CAYMAN CHEMICAL COMPANY, INC (US) 2020-08-04 US disclosed
US-20200207709-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS CAYMAN CHEMICAL COMPANY, INC. 2020-07-02 US disclosed
EP-3176162-B1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASE AND CONDITIONS CAYMAN CHEMICAL CO INC (US) 2020-05-27 EP disclosed
US-20040116710-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. 2003-11-20 US disclosed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 WO disclosed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
US-5348675-A Biosynthesis, heat resistance RHONE-POULENC CHIMIE (FR) 1994-09-20 US disclosed
JP-H06145298-A LIQUID EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREFROM SHIN ETSU CHEM CO LTD 1994-05-24 JP disclosed
US-5104566-A Detergents RHONE-POULENC CHIMIE (FR) 1992-04-14 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 (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-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME REN, BRAF, CDK4 MEN1 1613/4885KMT2A 1435/4885HSP90AA1 3514/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 MEN1 1587/4885KMT2A 1258/4885HSP90AA1 3244/4885
US-20230050318-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MEN1 3177/4885KMT2A 3839/4885HSP90AA1 3145/4885
US-11066361-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 MEN1 3177/4885KMT2A 3839/4885HSP90AA1 3145/4885
US-11884624-B2 Difluorolactam compounds as EP4 receptor-selective agonists for use in the treatment of EP4-mediated diseases and conditions PTGER4, PTGER1, PTGER3 MEN1 3177/4885KMT2A 3839/4885HSP90AA1 3145/4885
US-20200207709-A1 DIFLUOROLACTAM COMPOUNDS AS EP4 RECEPTOR-SELECTIVE AGONISTS FOR USE IN THE TREATMENT OF EP4-MEDIATED DISEASES AND CONDITIONS PTGER4, PTGER1, PTGER3 MEN1 3177/4885KMT2A 3839/4885HSP90AA1 3145/4885
US-20030216460-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CCNT1 MEN1 1679/4885KMT2A 1029/4885HSP90AA1 3242/4885

“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.