SCHEMBL8137115

SCHEMBL8137115

Cc1cc(C(=O)O)c([N+](=O)[O-])cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
DTYMK P23919 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CASP6 P55212 1/20 0.44
CYP1A2 P05177 1/20 0.44
GPR35 Q9HC97 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NLRP1 Q9C000 1/20 0.43
POLB P06746 1/20 0.43
RXRA P19793 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
SCHEMBL395696 0.90 TSHR (0.56) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL28196295 0.90 TSHR (0.56) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL26841751 0.90 TSHR (0.56) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL11614707 0.87 TSHR (0.49) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL21177993 0.87 TSHR (0.49) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL272650 0.86 TSHR (0.61) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL23699550 0.85 TSHR (0.47) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL16676395 0.85 TSHR (0.47) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL11991419 0.85 TSHR (0.47) TSHRDTYMKTDP1L3MBTL1CASP6
SCHEMBL10630877 0.85 TSHR (0.47) 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
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 disclosed
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-10-10 US disclosed
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 US disclosed
US-11701430-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2023-07-18 US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-20180221506-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2018-08-09 US disclosed
US-10029018-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2018-07-24 US disclosed
US-20180193480-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2018-07-12 US disclosed
US-10017580-B2 Humanized anti-Tn-MUC1 antibodies and their conjugates ADC Therpeutics S.A. (CH) 2018-07-10 US disclosed
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase DEWDNEY NOLAN JAMES 2010-10-28 US disclosed
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 WO disclosed
WO-2010084067-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2010-07-29 WO disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US disclosed
CN-1724597-A Phase change inks XEROX CORP (US) 2006-01-25 CN disclosed
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 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 (12 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-11701430-B2 Pyrrolobenzodiazepines and conjugates thereof CLTB, CD47, CD79B TSHR 1414/4885DTYMK 2517/4885TDP1 2667/4885
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 TSHR 1179/4885DTYMK 3315/4885TDP1 2183/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 TSHR 870/4885DTYMK 2652/4885TDP1 4513/4885
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME HCAR2, HAO2, HK2 TSHR 742/4885DTYMK 2910/4885TDP1 4185/4885
US-20180221506-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CLTB, CD47, CD79B TSHR 1414/4885DTYMK 2517/4885TDP1 2667/4885
US-11779663-B2 Specific conjugation linkers, specific immunoconjugates thereof, methods of making and uses such conjugates thereof SLC25A1, GCDH, FH TSHR 3303/4885DTYMK 110/4885TDP1 3693/4885
US-10017580-B2 Humanized anti-Tn-MUC1 antibodies and their conjugates MUC1, CD44, VIM TSHR 181/4885DTYMK 1498/4885TDP1 1584/4885
US-20100273768-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN TSHR 1887/4885DTYMK 574/4885TDP1 291/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 TSHR 2641/4885DTYMK 1654/4885TDP1 943/4885
US-10029018-B2 Pyrrolobenzodiazepines and conjugates thereof DBH, DDO, DOHH TSHR 2273/4885DTYMK 3994/4885TDP1 3544/4885
US-20180193480-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD4, IL2 TSHR 870/4885DTYMK 2652/4885TDP1 4513/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 TSHR 879/4885DTYMK 2746/4885TDP1 1612/4885

“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.