SCHEMBL4500753

SCHEMBL4500753

CC(Br)c1c(Cl)cccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
MT-CO2 P00403 1/20 0.44
TTR P02766 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
AR P10275 1/20 0.44
HTR2A P28223 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
SCHEMBL8817995 0.85 TSHR (0.57) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL9592732 0.81 TSHR (0.49) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL326537 0.78 CYP1A2 (0.41) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL28160183 0.76 ALDH1A1 (0.44) TSHRALDH1A1HPGDMAPTLMNA
SCHEMBL27830335 0.75 TSHR (0.53) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL27558949 0.75 ALDH1A1 (0.48) TSHRALDH1A1HPGDMAPTLMNA
SCHEMBL3112611 0.75 NOTUM (0.40) ALDH1A1HPGDMAPTLMNACYP2C19
SCHEMBL8327982 0.75 TSHR (0.49) TSHRALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3389839 0.74 ALDH1A1 (0.52) TSHRALDH1A1HPGDMAPTLMNA
SCHEMBL16289708 0.73 TSHR (0.59) TSHRALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585883-B2 Substituted pyridines and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1817303-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE Rigel Pharmaceuticals, Inc. (US) 2007-08-15 EP disclosed
US-20060178407-A1 Substituted pyridines and their uses RIGEL PHARMACEUTICAL, INC. (US) 2006-08-10 US disclosed
WO-2006050480-A2 SUBSTITUTED PYRIDINES WITH ACTIVITY ON SYK KINASE RIGEL PHARMACEUTICALS, INC. (US) 2006-05-11 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-20060178407-A1 Substituted pyridines and their uses KIT, CPA3, CMA1 TSHR 4213/4885ALDH1A1 613/4885MEN1 2848/4885

“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.