SCHEMBL2472175

SCHEMBL2472175

ClOc1cccc(NCc2ncc[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.61
KLK1 P06870 1/20 0.45
KLK5 Q9Y337 1/20 0.45
GRK2 P25098 5/20 0.41
ROCK2 O75116 4/20 0.41
BRD4 O60885 1/20 0.41
F2 P00734 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
FPR2 P25090 1/20 0.36

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
SCHEMBL3171172 0.86 TAAR1 (0.61) TAAR1KLK1KLK5GRK2ROCK2
SCHEMBL29920801 0.85 TAAR1 (0.68) TAAR1KLK1KLK5GRK2ROCK2
SCHEMBL3164681 0.85 TAAR1 (0.68) TAAR1KLK1KLK5GRK2ROCK2
SCHEMBL3164273 0.82 TAAR1 (0.63) TAAR1GRK2ROCK2F2KDM4E
SCHEMBL2473036 0.81 TAAR1 (0.67) TAAR1KLK1KLK5GRK2ROCK2
SCHEMBL13451067 0.78 TAAR1 (0.67) TAAR1KLK1KLK5GRK2ROCK2
SCHEMBL3171445 0.78 TAAR1 (0.67) TAAR1KLK1KLK5BRD4KDM4E
SCHEMBL3155469 0.78 TAAR1 (0.67) TAAR1KLK1KLK5BRD4KDM4E
SCHEMBL5693016 0.78 TAAR1 (0.67) TAAR1KLK1KLK5BRD4KDM4E
Hydrochloric Acid SCHEMBL5850576 0.77 TAAR1 (0.65) TAAR1KLK1KLK5BRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546136-B1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2011-10-05 EP disclosed
US-7279497-B2 Benzopyran derivatives substituted with secondary amines including imidazole, their preparation and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-10-09 US disclosed
EP-1546136-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RES INST CHEM TECH (KR) 2007-01-24 EP disclosed
US-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-12-01 US disclosed
EP-1546136-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Korea Research Institute of Chemical Technology (KR) 2005-06-29 EP disclosed
WO-2004014898-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH SECONDARY AMINES INCLUDING IMIDAZOLE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-02-19 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 (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-20050267188-A1 Therapy of cancer, rheumatoid arthritis, and diabetic retinopathies through anti-angiogenic properties, for protection of heart, neuronal cells, brain injury, organs for preservation or in cardiovascular surgery against ischemia-reperfusion injury or oxidative stress FLT4, ALDH1A2, KDR TAAR1 4184/4885KLK1 2976/4885KLK5 3133/4885

“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.