SCHEMBL6738124

SCHEMBL6738124

CN(CCCl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
SLC22A2 O15244 1/20 0.42
SLC22A3 O75751 1/20 0.42
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 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
Hydrochloric Acid SCHEMBL11400102 0.98 EGFR (0.45) EGFRERBB2CA12CA2CA9
SCHEMBL11054906 0.90 EGFR (0.41) EGFRERBB2CA12CA2CA9
SCHEMBL3725117 0.86 TAAR1 (0.44) EGFRERBB2CA12CA2CA9
SCHEMBL11044440 0.85 CA12 (0.50) CA12CA2CA9TAAR1HTT
SCHEMBL11414547 0.84 EGFR (0.40) EGFRERBB2CA12CA2CA9
SCHEMBL7389171 0.83 SIGMAR1 (0.44) EGFRERBB2CA12CA2CA9
SCHEMBL11145951 0.80 CA12 (0.47) CA12CA2CA9TAAR1HTT
SCHEMBL13645984 0.80 SIGMAR1 (0.48) CA12CA2CA9TAAR1HTT
SCHEMBL31135311 0.80 CA12 (0.47) EGFRERBB2CA12CA2CA9
SCHEMBL11050700 0.79 ALDH1A1 (0.48) EGFRERBB2SLC22A2SLC22A3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486761-A Aryl-containing chloroethyl nitrosourea compound and preparation method and application thereof 南方医科大学 2024-02-02 CN disclosed
EP-2819993-B1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIV CINCINNATI (US) 2020-09-02 EP disclosed
US-9394233-B2 ROS-activated compounds as selective anti-cancer therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2016-07-19 US disclosed
CN-105017090-A 4-(N-methyl-N-sulfoethyl)aminobenzaldehyde sodium salt synthesis method TIANCHANG TIANJIA CHEMICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
EP-2819993-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS University Of Cincinnati (US) 2015-01-07 EP disclosed
WO-2013130968-A1 ROS-ACTIVATED COMPOUNDS AS SELECTIVE ANTI-CANCER THERAPEUTICS UNIVERSITY OF CINCINNATI (US) 2013-09-06 WO disclosed
US-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2013-09-05 US disclosed
US-RE38416-E1 NUCLEOTIDE BASES COMPRISING PYRAZOLO(3,4-D)PYRIMIDINES USED FOR MEDICAL DIAGNOSIS, THERAPY, HYBRIDIZATION, ANTISENSE AGENTS OR REPORTER MOLECULES EPOCH BIOSCIENCES, INC. 2004-02-03 US disclosed
WO-2001092285-A1 NOVEL OLIGONUCLEOTIDE COMPOUNDS HAVING PYRROLIZINE DERIVATIVES, PROCESSES FRO PREPARING THEM, COMPOSITIONS CONTAINING THEM AND USES THEREOF IN TREATMENT, DIAGNOSIS AND ANALYSIS OF GENE-RELATED DISEASES GENECHEM INC. (KR) 2001-12-06 WO disclosed
US-6312953-B1 MODIFIED OLIGONUCLEOTIDE COMPLEMENTARY TO A TARGET SEQUENCE AND HAVING AT LEAST TWO CROSSLINKING AGENTS COVALENTLY ATTATCHED; GENE EXPRESSION INHIBITION; DNA SEQUENCING; GENETIC MAPPING EPOCH PHARMACEUTICALS, INC. 2001-11-06 US disclosed
US-5849482-A Crosslinking oligonucleotides EPOCH PHARMACEUTICALS, INC. (US) 1998-12-15 US disclosed
US-5824796-A MEDICAL DIAGNOSIS WITH TARGET DNA OR RNA FOR ENZYME INHIBITORS EPOCH PHARMACEUTICALS, INC. (US) 1998-10-20 US disclosed
EP-0842186-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1998-05-20 EP disclosed
WO-1996040711-A1 CROSS-LINKING OLIGONUCLEOTIDES MICROPROBE CORPORATION (US) 1996-12-19 WO disclosed
WO-1994017092-A1 BIFUNCTIONAL CROSSLINKING OLIGONUCLEOTIDES ADAPTED FOR LINKING TO A DESIRED GENE SEQUENCE OF INVADING ORGANISM OR CELL MICROPROBE CORPORATION (US) 1994-08-04 WO disclosed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US disclosed
US-4115413-A ACID FREE BAYER AKTIENGESELLSCHAFT (DE) 1978-09-19 US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-3963747-A Basic arylmercaptonaphtholactam dyes BASF AKTIENGESELLSCHAFT (DT) 1976-06-15 US 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 (1 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-20130230542-A1 ROS-Activated Compounds as Selective Anti-Cancer Therapeutics ROS1, NOX4, NOX1 EGFR 140/4885ERBB2 248/4885CA12 3227/4885

“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.