SCHEMBL246196

SCHEMBL246196

O=C(O)c1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DTYMK P23919 1/20 0.49
▸ TSHR P16473 3/20 0.46
▸ CASP6 P55212 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DNA2 P51530 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37

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
SCHEMBL7560618 0.85 TSHR (0.46) DTYMKTSHRCASP6ALDH1A1POLB
SCHEMBL4292385 0.80 SIRT6 (0.46) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL57882 0.76 TSHR (0.40) TSHRCASP6ALDH1A1POLBMEN1
SCHEMBL158733 0.75 GPR35 (0.47) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL13835837 0.74 CYP1A2 (0.51) TSHRCASP6ALDH1A1MEN1KMT2A
SCHEMBL490677 0.73 ALDH1A1 (0.48) TSHRALDH1A1POLBMEN1KMT2A
SCHEMBL27991513 0.73 L3MBTL1 (0.48) TSHRALDH1A1POLBMAPTLMNA
SCHEMBL7013577 0.73 LMNA (0.44) TSHRCASP6ALDH1A1POLBMEN1
SCHEMBL29696138 0.72 TSHR (0.67) DTYMKTSHRALDH1A1MEN1KMT2A
SCHEMBL30727560 0.72 TSHR (0.67) DTYMKTSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS IMMUNOGEN, INC. 2024-06-20 — — US claimed
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 — — US claimed
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 — — CN claimed
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2023-07-27 — — US claimed
US-20230094471-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES IMMUNOGEN, INC. (US) 2023-03-30 — — US claimed
CN-110229658-B In-situ generated copper nanocluster with double-layer shell structure and preparation method and application thereof 浙江师范大学 2022-11-15 — — CN claimed
EP-3947395-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES ImmunoGen, Inc. (US) 2022-02-09 — — EP claimed
CN-113661172-A Cytotoxic bis-benzodiazepine derivatives and conjugates thereof with cell-binding agents for use in inhibiting abnormal cell growth or treating proliferative diseases 伊缪诺金公司 2021-11-16 — — CN claimed
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF CELLMOSAIC INC (US) 2021-06-10 — — US claimed
EP-3486248-B1 IMPROVED METHODS FOR THE ACYLATION OF MAYTANSINOL IMMUNOGEN INC (US) 2021-04-07 — — EP claimed
US-20030055226-A1 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents IMMUNOGEN, INC. 2003-03-20 — — US claimed
WO-2002098883-A1 METHODS FOR PREPARATION OF CYTOTOXIC CONJUGATES OF MAYTANSINOIDS AND CELL BINDING AGENTS IMMUNOGEN, INC. (US) 2002-12-12 — — WO claimed
US-6441163-B1 COUPLING MAYTANSINOIDS HAVING DISULFIDE LINKER BEARING REACTIVE MOIETY TO SUCH AS ANTIBODIES WITHOUT PRIOR MODIFICATION OF SAID ANTIBODY; ONE-STEP, HIGH YIELD, LOWER COST IMMUNOGEN, INC. 2002-08-27 — — US claimed
US-5663242-A End-attachment of oligonucleotides to polyacrylamide solid supports for capture and detection of nucleic acids SISKA DIAGNOSTICS, INC. (US) 1997-09-02 — — US claimed
WO-1996007676-A1 POLYMERIC RESIN FOR DISULFIDE BOND SYNTHESIS EKAGEN CORPORATION (US) 1996-03-14 — — WO claimed
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 — — EP claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 — — EP claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 — — WO claimed
EP-0208776-A1 CARRIER-BOUND HISTAMINE, ITS MANUFACTURE AND ITS USE PHARMACIA AB (SE) 1987-01-21 — — EP claimed
WO-1986004331-A1 CARRIER-BOUND HISTAMINE, ITS MANUFACTURE AND ITS USE PHARMACIA AB (SE) 1986-07-31 — — WO claimed

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-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF SIGLEC7, CD44, SIGLEC9 DTYMK 602/4885TSHR 2001/4885CASP6 4672/4885
US-20030055226-A1 Methods for preparation of cytotoxic conjugates of maytansinoids and cell binding agents SPR, SELPLG, CD2BP2 DTYMK 565/4885TSHR 2205/4885CASP6 1625/4885
US-20230233697-A1 CYTOTOXIC BENZODIAZEPINE DERIVATIVES GABRA6, GABBR1, GABRA5 DTYMK 3718/4885TSHR 889/4885CASP6 1118/4885
US-20240197898-A1 SUBSTITUTED BENZO[5,6][1,4]DIAZEPINO[1,2-a]INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MKI67, GABBR1, GABBR2 DTYMK 2746/4885TSHR 879/4885CASP6 3437/4885
US-20230094471-A1 CYTOTOXIC BIS-BENZODIAZEPINE DERIVATIVES AND CONJUGATES THEREOF WITH CELL-BINDING AGENTS FOR INHIBITING ABNORMAL CELL GROWTH OR FOR TREATING PROLIFERATIVE DISEASES GABBR2, GABRB1, GABRB2 DTYMK 2264/4885TSHR 269/4885CASP6 2091/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 DTYMK 2746/4885TSHR 879/4885CASP6 3437/4885

“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.

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