SCHEMBL3051005

SCHEMBL3051005

CC(C(=O)O)c1cc(Cl)ccc1CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
EPHX1 P07099 1/20 0.38
PPARG P37231 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CRHR2 Q13324 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
SCHEMBL5227815 0.79 PTGS2 (0.42) PTGS2MAPTMEN1ABCC4C5
SCHEMBL31276823 0.79 TP53 (0.47) PTGS2MAPTMEN1ABCC4C5
SCHEMBL2110334 0.79 TP53 (0.47) PTGS2MAPTMEN1ABCC4C5
SCHEMBL31112010 0.78 GABRA1 (0.43) MAPTMEN1KMT2AEPHX1GAA
SCHEMBL1180126 0.78 PTGS2 (0.53) PTGS2PTGS1TSHR
SCHEMBL3051853 0.77 TSHR (0.50) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6591473 0.77 PTGS2 (0.57) PTGS2MAPTMEN1ABCC4C5
SCHEMBL9462994 0.77 HTT (0.38) MAPTMEN1KMT2AHTR2AHTR2C
SCHEMBL4941752 0.77 MAPT (0.46) PTGS2MAPTMEN1ABCC4C5
SCHEMBL838637 0.75 LMNA (0.55) PTGS2MAPTMEN1ABCC4C5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 PTGS2 1573/4885MAPT 120/4885MEN1 1636/4885

“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.