SCHEMBL66829

SCHEMBL66829

Cc1cccc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
TSHR P16473 6/20 0.56
KAT2B Q92831 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.42
BMP1 P13497 1/20 0.40
CYP3A4 P08684 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38

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
(Chloromethyl)Benzene SCHEMBL10786903 0.91 ALDH1A1 (0.53) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL13344110 0.85 TDP1 (0.69) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL18138442 0.83 TDP1 (0.67) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL67211 0.81 TDP1 (0.64) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL31729335 0.81 TDP1 (0.64) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL66337 0.81 TDP1 (0.64) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL16958303 0.80 ALDH1A1 (0.62) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL635089 0.80 ALDH1A1 (1.00) ALDH1A1TDP1TSHRKAT2BSMN1; SMN2
SCHEMBL69094 0.79 TSHR (0.53) ALDH1A1TDP1TSHRSMN1; SMN2CYP3A4
SCHEMBL5604297 0.79 TSHR (0.69) ALDH1A1TDP1TSHRSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150169-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS Monsanto Company (US) 1987-11-11 EP claimed
US-4593144-A REACTING SUBSTITUTED BENZAL CHLORIDES WITH PRECHLOROALKANE IN PRESENCE OF BASE AND PHASE TRANSFER CATALYST MONSANTO COMPANY (US) 1986-06-03 US claimed
EP-0150169-A2 A process for preparing substituted benzotrichloride compounds Monsanto Company (US) 1985-07-31 EP claimed
US-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2025-07-03 US disclosed
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2024-04-04 US disclosed
US-20220251066-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2022-08-11 US disclosed
US-10450297-B2 Sulfonyl amide derivatives for the treatment of abnormal cell growth PFIZER, INC. (US) 2019-10-22 US disclosed
US-20190047979-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER (US) 2019-02-14 US disclosed
US-20170327485-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER (US) 2017-11-16 US disclosed
CN-103951658-B Sulfamide derivative for treating abnormal cell growth 辉瑞产品公司 2017-10-13 CN disclosed
US-20170001981-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER (US) 2017-01-05 US disclosed
EP-0700376-A4 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LTD (NZ) 1996-05-22 EP disclosed
EP-0700376-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1996-03-13 EP disclosed
WO-1994027954-A1 NITROBENZYL MUSTARD QUATERNARY SALTS AND THEIR USE AS HYPOXIA-SELECTIVE CYTOTOXIC AGENTS AUCKLAND UNISERVICES LIMITED (NZ) 1994-12-08 WO disclosed
EP-0150169-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDE COMPOUNDS Monsanto Company (US) 1987-11-11 EP disclosed
US-4593144-A REACTING SUBSTITUTED BENZAL CHLORIDES WITH PRECHLOROALKANE IN PRESENCE OF BASE AND PHASE TRANSFER CATALYST MONSANTO COMPANY (US) 1986-06-03 US disclosed
EP-0150169-A2 A process for preparing substituted benzotrichloride compounds Monsanto Company (US) 1985-07-31 EP disclosed
EP-0000718-B1 QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-24 EP disclosed
US-4256748-A INOTROPIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-03-17 US disclosed
EP-0000718-A2 Quinazoline derivatives, process for their preparation, pharmaceutical preparations and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-02-21 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 (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-20250214963-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-10450297-B2 Sulfonyl amide derivatives for the treatment of abnormal cell growth GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-20170001981-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-20170327485-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-20190047979-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-20240109862-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885
US-20220251066-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR ALDH1A1 1427/4885TDP1 4027/4885TSHR 282/4885

“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.