SCHEMBL1724944

SCHEMBL1724944

Cc1cc(F)cc(N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
ACHE P22303 2/20 0.37
APP P05067 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAPGEF4 Q8WZA2 2/20 0.34
NOS1 P29475 4/20 0.34
NOS2 P35228 2/20 0.34
NOS3 P29474 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
NSD2 O96028 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL6225564 0.84 TSHR (0.42) TSHRALDH1A1APPALOX15HSD17B10
SCHEMBL5642382 0.81 ALDH1A1 (0.50) TSHRALDH1A1ACHEAPPALOX15
SCHEMBL43548 0.81 ALDH1A1 (0.50) TSHRALDH1A1ACHEAPPALOX15
Hydrochloric Acid SCHEMBL2855511 0.78 TSHR (0.48) TSHRALDH1A1ACHEAPPALOX15
SCHEMBL10625457 0.78 NOS2 (0.37) TSHRACHERAPGEF4NOS1NOS2
SCHEMBL21992127 0.76 RAPGEF4 (0.33) ACHERAPGEF4NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL10936424 0.76 TSHR (0.46) TSHRALDH1A1ACHEAPPALOX15
SCHEMBL23513925 0.75 MAP4K4 (0.30)
SCHEMBL12156 0.74
SCHEMBL91512 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776423-B1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-06 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
CN-102341383-A Inhibitors of Bruton's Tyrosine Kinase HOFFMANN LA ROCHE 2012-02-01 CN disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-4746756-A Photoconductive imaging members with novel fluorinated squaraine compounds XEROX CORPORATION (US) 1988-05-24 US disclosed
US-4621038-A Photoconductive imaging members with novel symmetrical fluorinated squaraine compounds XEROX CORPORATION (US) 1986-11-04 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-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN TSHR 1586/4885ALDH1A1 4625/4885ACHE 3388/4885

“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.