SCHEMBL954494

SCHEMBL954494

CCc1ccc(C(C)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CYP2A6 P11509 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL9774407 0.81 LPL (0.43) L3MBTL1HPGDTP53LPLLIPG
SCHEMBL1415320 0.81 ESR1 (0.38) TDP1TAAR1LMNAESR1ESR2
SCHEMBL18242410 0.80 L3MBTL1 (0.52) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL139408 0.79 L3MBTL1 (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL500563 0.79 TSHR (0.56) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL9596827 0.78 PTGS1 (0.53) TSHRAKR1C3AKR1C2LMNAESR1
SCHEMBL6448218 0.78 PTGS1 (0.53) TSHRAKR1C3AKR1C2LMNAESR1
SCHEMBL11726229 0.78 FAAH (0.36) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL9596832 0.78 PTGS1 (0.53) TSHRAKR1C3AKR1C2LMNAESR1
SCHEMBL9030475 0.78 HTR2A (0.54) TSHRTP53LPLLIPGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117702142-A C (C) 4 Process for preparing substituted pyridine derivatives 五邑大学 2024-03-15 CN disclosed
CN-105473575-A Benzimidazolyl-methylurea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2016-04-06 CN disclosed
CN-101506203-B 2- (pyrazin-2-yl) -thiazole and 2- (1h-pyraz0l-3-yl) -thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and other syndromes NOVARTIS AG 2013-10-16 CN disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101506203-A 2- (pyrazin-2-yl) -thiazole and 2- (1h-pyraz0l-3-yl) -thiazole derivatives as well as related compounds as stearoyl-coa desaturase (scd) inhibitors for the treatment of metabolic, cardiovascular and o NOVARTIS AG (CH) 2009-08-12 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
CN-1329481-C Liquid crystal compound containing monofluoro ethylene bridge and its preparing method UNIV TSINGHUA (CN) 2007-08-01 CN disclosed
CN-1743414-A Liquid crystal compound containing monofluoro ethylene bridge and its preparing method UNIV TSINGHUA (CN) 2006-03-08 CN disclosed
US-5026729-A Lipoxygenase inhibiting compounds ABBOTT LABORATORIES (US) 1991-06-25 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B TSHR 222/4885MAPK1 3544/4885ATM 1503/4885

“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.