SCHEMBL19280702

SCHEMBL19280702

Cc1c(C(=O)O)ccc([N+](=O)[O-])c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
DTYMK P23919 1/20 0.47
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CASP6 P55212 1/20 0.44
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 3/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1C4 P17516 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
AKR1B10 O60218 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 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
Pentadecane SCHEMBL28973560 0.89 TSHR (0.51) TSHRDTYMKAKR1C3AKR1C2AKR1C1
SCHEMBL27490189 0.88 TSHR (0.60) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL22070445 0.85 DTYMK (0.50) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL6304256 0.85 TSHR (0.71) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL28162054 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6
Ammonia Solution, Strong SCHEMBL28332950 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL28842429 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL28194741 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL27741931 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL27852482 0.84 TSHR (0.69) TSHRDTYMKTDP1L3MBTL1CASP6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473267-B2 Process and intermediate for the preparation of oxetan-2-yl-methanamine ELI LILLY AND COMPANY (US) 2025-11-18 US disclosed
CN-116332779-B Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2025-06-10 CN disclosed
EP-4073051-B1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF OXETAN-2-YLMETHANAMINE LILLY CO ELI (US) 2024-02-07 EP disclosed
CN-116332779-A Preparation method of 3, 4-diaminomethyl benzoate 苏州敬业医药化工有限公司 2023-06-27 CN disclosed
CN-115850083-A Preparation method of carboxylic acid compounds 南京正荣医药化学有限公司 2023-03-28 CN disclosed
US-20230013840-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF OXETAN-2-YL-METHANAMINE ELI LILLY AND COMPANY 2023-01-19 US disclosed
WO-2021118906-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF OXETAN-2-YLMETHANAMINE ELI LILLY AND COMPANY (US) 2021-06-17 WO disclosed
EP-3209646-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OEFFENTLICHEN RECHTS (DE) 2020-07-22 EP disclosed
US-10138226-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
CN-108473498-A Pyrazolo [1,5a] pyrimidine derivatives as IRAK4 conditioning agents 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
US-20170320861-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-09 US disclosed
EP-3209646-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-08-30 EP 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 (4 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-10138226-B2 Benzimidazol-2-amines as MIDH1 inhibitors HRH1, HRH2, HRH3 TSHR 2169/4885DTYMK 1465/4885TDP1 958/4885
US-12473267-B2 Process and intermediate for the preparation of oxetan-2-yl-methanamine CYP11B2, CYP11B1, MSMO1 TSHR 3386/4885DTYMK 1787/4885TDP1 3714/4885
US-20170320861-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 TSHR 1408/4885DTYMK 1576/4885TDP1 1987/4885
US-20230013840-A1 PROCESS AND INTERMEDIATE FOR THE PREPARATION OF OXETAN-2-YL-METHANAMINE CYP11B2, CYP11B1, MSMO1 TSHR 3386/4885DTYMK 1787/4885TDP1 3714/4885

“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.