SCHEMBL67686

SCHEMBL67686

O=[N+]([O-])c1cc(Cl)ccc1CCl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 3/20 0.55
VCAM1 P19320 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE7A Q13946 4/20 0.46
PDE7B Q9NP56 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ACLY P53396 1/20 0.45
KIF18A Q8NI77 1/20 0.45
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL67536 0.87 MAPK1 (0.53) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL535249 0.87 MAPK1 (0.53) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL29836060 0.85 MAPK1 (0.52) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL535457 0.85 MAPK1 (0.52) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL357928 0.85 PDK1 (0.55) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL67864 0.85 MAPK1 (0.60) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
Ammonia Solution, Strong SCHEMBL28325235 0.84 MAPK1 (0.50) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL28859046 0.83 MAPK1 (0.53) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL2112011 0.83 MAPK1 (0.53) ALDH1A1TSHRMAPK1VCAM1L3MBTL1
SCHEMBL29495064 0.83 MAPK1 (0.53) ALDH1A1TSHRMAPK1VCAM1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
EP-3565484-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2019-11-13 EP claimed
WO-2018129369-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2018-07-12 WO claimed
US-20180185096-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. 2018-07-05 US claimed
US-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds SHELL OIL COMPANY 2001-11-08 US claimed
EP-0128563-B1 IMPROVED ANTIFOGGANT PROCESS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-04-04 EP claimed
EP-0128563-A2 Improved antifoggant process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-19 EP claimed
US-4468454-A NEGATIVE SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-28 US claimed
EP-0045570-B1 USE OF ORGANIC HALOGEN COMPOUNDS TO REDUCE OR PREVENT FOG IN NEGATIVE-WORKING SILVER HALIDE EMULSIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-09-28 EP claimed
US-4323645-A Organic halogen compounds for negative-working silver halide emulsions E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-06 US claimed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP claimed
US-12383421-B2 Contraceptive devices Contraline, Inc. (US) 2025-08-12 US disclosed
CN-120309458-A Method for synthesizing 2, 4-dichlorobenzaldehyde by using 4-chloro-2-nitrotoluene 浙江大洋生物科技集团股份有限公司 2025-07-15 CN disclosed
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP disclosed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP disclosed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP disclosed
EP-0045570-A1 Use of organic halogen compounds to reduce or prevent fog in negative-working silver halide emulsions E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-10 EP disclosed
EP-0001585-B1 PIPERAZINO-PYRROLOBENZODIAZEPINES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1981-07-22 EP disclosed
EP-0001585-A1 Piperazino-pyrrolobenzodiazepines, methods for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1979-05-02 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 (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-20010039349-A1 Selective, Catalytic, thermal functionalization of secondary or aromatic C-H cyclic hydrocarbon bonds AHR, PAH, HRH3 ALDH1A1 1723/4885TSHR 1650/4885MAPK1 2544/4885

“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.