SCHEMBL5845763

SCHEMBL5845763

Cc1ccc(Sc2c(C)c(Cl)cc(C)[n+]2[O-])c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.36
HTR1A P08908 10/20 0.35
HTR3A P46098 10/20 0.35
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 2/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C9 P11712 2/20 0.32
HRH2 P25021 2/20 0.32
HTR1B P28222 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32

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
SCHEMBL5843346 0.80 RAPGEF4 (0.31)
SCHEMBL29475022 0.69 HAO1 (0.55) HAO1HTR1AHTR3APKMHPGD
SCHEMBL76793 0.69 HAO1 (0.55) HAO1HTR1AHTR3APKMHPGD
SCHEMBL5845132 0.67 LMNA (0.42) HAO1HTR1AHTR3APKMHPGD
SCHEMBL16269571 0.66 AR (0.51) HAO1HTR1AHTR3AMAPK13MAPK12
SCHEMBL7605532 0.64 ITGB2 (0.59) HAO1HTR1AHTR3APKMHPGD
SCHEMBL15955901 0.64 PKM (0.43) HAO1HTR1AHTR3APKMHPGD
SCHEMBL5843888 0.64 TSHR (0.39)
SCHEMBL14252178 0.62 HAO1 (0.49) HAO1HTR1AHTR3APKMHPGD
SCHEMBL7607268 0.62 PDE7A (0.58) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125880-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-10-24 US disclosed
US-7067664-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2006-06-27 US disclosed
US-6956047-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-10-18 US disclosed
US-20050032846-A1 Corticotropin releasing factor antagonists PFIZER INC. 2005-02-10 US disclosed
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed
EP-0764166-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER (US) 2000-09-13 EP disclosed
US-5962479-A Corticotropin releasing factor antagonists PFIZER INC. (US) 1999-10-05 US disclosed
EP-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 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-20050032846-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 HAO1 4044/4885HTR1A 128/4885HTR3A 148/4885

“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.