SCHEMBL3919635

SCHEMBL3919635

Cc1cc(Cl)ccc1C(=O)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.55
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
KCNH2 Q12809 2/20 0.43
PLA2G1B P04054 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3922315 0.85 GSK3B (0.50) GSK3BALDH1A1MAPK1HIF1AMAPT
SCHEMBL10850438 0.83 ALDH1A1 (0.67) GSK3BFLT1FLT4KDRALDH1A1
SCHEMBL11118433 0.83 ALDH1A1 (0.50) FLT1FLT4KDRALDH1A1MAPK1
SCHEMBL15756626 0.82 GSK3B (0.49) GSK3BALDH1A1MAPTKDM4ELMNA
SCHEMBL28125731 0.81 GSK3B (0.50) GSK3BMAPTKMT2AHTTRAB9A
SCHEMBL641759 0.81 ALDH1A1 (0.69) GSK3BALDH1A1MAPK1HIF1AMAPT
SCHEMBL29859075 0.81 ALDH1A1 (0.69) GSK3BALDH1A1MAPK1HIF1AMAPT
SCHEMBL1434608 0.81 GSK3B (0.59) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL30016132 0.81 GSK3B (0.59) GSK3BALDH1A1MAPTMEN1KMT2A
SCHEMBL11230620 0.80 TSHR (0.52) FLT1FLT4KDRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 GSK3B 2533/4885FLT1 1506/4885FLT4 2079/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 GSK3B 2809/4885FLT1 1072/4885FLT4 1723/4885

“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.