SCHEMBL21647739

SCHEMBL21647739

O=[N+]([O-])c1cccc(CCOCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 6/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.48
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
RECQL P46063 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAOB P27338 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
MAOA P21397 1/20 0.45
ALOX15 P16050 1/20 0.45
F2 P00734 1/20 0.44
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL30409059 1.00 TSHR (0.53) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL17678491 0.87 TSHR (0.51) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL925746 0.86 TSHR (0.54) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL78754 0.84 TSHR (0.62) TSHRALDH1A1LMNACYP2D6CYP2C9
SCHEMBL30409299 0.84 TSHR (0.62) TSHRALDH1A1LMNACYP2D6CYP2C9
SCHEMBL1934513 0.83 TSHR (0.54) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL9810822 0.83 TSHR (0.57) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL21647759 0.82 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL30408348 0.82 TSHR (0.50) TSHRALDH1A1LMNAKMT2ACYP2D6
SCHEMBL81026 0.81 TSHR (0.59) TSHRALDH1A1LMNAKMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188023-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-12 US disclosed
US-12258308-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2025-03-25 US disclosed
CN-112513011-B Benzene derivatives 小野药品工业株式会社 2023-06-16 CN disclosed
US-20220089532-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-24 US disclosed
US-11261154-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-01 US disclosed
US-20210332009-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2021-10-28 US disclosed
EP-3831810-A1 BENZENE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2021-06-09 EP disclosed
CN-112513011-A Benzene derivatives 小野药品工业株式会社 2021-03-16 CN disclosed
WO-2020027150-A1 BENZENE DERIVATIVE 小野薬品工業株式会社 2020-02-06 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 (5 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-12258308-B2 Benzene derivative PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885
US-11261154-B2 Benzene derivative PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 TSHR 4501/4885ALDH1A1 1203/4885LMNA 1430/4885
US-20210332009-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885

“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.