SCHEMBL5619683

SCHEMBL5619683

Cc1n[nH]c(CC(=O)N2Cc3ccccc3C2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.41
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ROCK2 O75116 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
FAAH O00519 1/20 0.35
SPR P35270 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
TAS1R2 Q8TE23 2/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL4769896 0.93 RAB9A (0.47) RAB9AROCK2MEN1KMT2ASPR
SCHEMBL4773462 0.85 LMNA (0.39) RAB9AMEN1KMT2ANOTUM
SCHEMBL508668 0.84 HPGD (0.42) RAB9AMEN1KMT2A
SCHEMBL4766432 0.79 MEN1 (0.45) RAB9AROCK2MEN1KMT2ANOTUM
SCHEMBL508731 0.78 P2RX7 (0.41)
SCHEMBL10254128 0.78 P2RX7 (0.41)
SCHEMBL14291275 0.76 ALDH1A1 (0.42) RAB9AROCK2MEN1KMT2ANOTUM
SCHEMBL5225140 0.74 KMT2A (0.47) RAB9AROCK2MEN1KMT2A
SCHEMBL14599716 0.74 KCNH2 (0.40)
SCHEMBL5225036 0.73 LMNA (0.41) MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 ROCK1 3435/4885RAB9A 2118/4885BCHE 3060/4885

“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.