SCHEMBL4769896

SCHEMBL4769896

Cc1n[nH]c(CC(=O)N2CCc3ccccc3C2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
NOTUM Q6P988 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ROCK2 O75116 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SPR P35270 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
SCHEMBL5619683 0.93 ROCK1 (0.41) RAB9AMEN1KMT2ANOTUMROCK2
SCHEMBL4773462 0.88 LMNA (0.39) RAB9AMEN1KMT2ANOTUMTAAR1
SCHEMBL4766432 0.86 MEN1 (0.45) RAB9AMEN1KMT2ANOTUMTAAR1
SCHEMBL14291275 0.83 ALDH1A1 (0.42) RAB9AMEN1KMT2ANOTUMTAAR1
SCHEMBL508668 0.82 HPGD (0.42) RAB9AMEN1KMT2AALDH1A1HPGD
SCHEMBL4770481 0.76 KCNH2 (0.43) MAPT
SCHEMBL10254128 0.74 P2RX7 (0.41) L3MBTL1ALDH1A1MAPT
SCHEMBL508731 0.74 P2RX7 (0.41) MAPT
SCHEMBL13457968 0.73 L3MBTL1 (0.39) RAB9AMEN1KMT2ANOTUMTAAR1
SCHEMBL5225036 0.72 LMNA (0.41) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2

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-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
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
EP-1556381-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
WO-2004029051-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LIMITED (GB) 2004-04-08 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-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 RAB9A 2118/4885MEN1 4755/4885KMT2A 3398/4885

“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.