SCHEMBL2474121

SCHEMBL2474121

Cc1cccc(C)c1NCc1ncc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 11/20 0.58
BRD4 O60885 1/20 0.52
KLK1 P06870 1/20 0.44
KLK5 Q9Y337 1/20 0.44
HTR1A P08908 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TERT O14746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
FPR2 P25090 1/20 0.38
ILK Q13418 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL3164870 0.87 TAAR1 (0.56) TAAR1BRD4KLK1KLK5HTR1A
SCHEMBL2466799 0.83 TAAR1 (0.50) TAAR1BRD4KLK1KLK5HTR1A
SCHEMBL2473376 0.83 BRD4 (0.58) TAAR1BRD4KLK1KLK5HTR1A
SCHEMBL2471283 0.75 TAAR1 (0.70) TAAR1BRD4KLK1KLK5KDM4E
SCHEMBL23107884 0.74 TAAR1 (0.51) TAAR1BRD4HTR1AKDM4EMEN1
SCHEMBL953782 0.74 TAAR1 (1.00) TAAR1BRD4HTR1AKDM4EMEN1
SCHEMBL3166154 0.74 TAAR1 (1.00) TAAR1KLK1KLK5KDM4EMEN1
SCHEMBL2468823 0.73 BRD4 (0.52) TAAR1BRD4KLK1KLK5KDM4E
SCHEMBL11276178 0.73 NLRP3 (0.40) HTR1AKDM4EALDH1A1MAPTKMT2A
SCHEMBL11292034 0.72 TAAR1 (0.72) TAAR1BRD4HTR1ATERTADRA2A

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 3 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
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

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 4184/4885BRD4 326/4885KLK1 2976/4885

“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.