SCHEMBL2008254

SCHEMBL2008254

CCOc1cccc(C(C)(C)C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
JAK2 O60674 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
SOD1 P00441 1/20 0.38
KDM4E B2RXH2 4/20 0.38

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
SCHEMBL9692881 0.87 KMT2A (0.49) L3MBTL1HTTMAPK1LMNACYP2D6
SCHEMBL13282765 0.86 TSHR (0.45) L3MBTL1HTTLMNACYP1A2CYP2D6
SCHEMBL6036373 0.81 MAOB (0.54)
SCHEMBL1007659 0.81 ACHE (0.44) TP53CYP3A4HSD17B10MAPK1JAK2
SCHEMBL5619009 0.80 CYP3A4 (0.55) TP53CYP3A4L3MBTL1HTTMAPK1
SCHEMBL29979999 0.80 CYP3A4 (0.55) TP53CYP3A4L3MBTL1HTTMAPK1
SCHEMBL1009035 0.80 SLC22A12 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19JAK2
SCHEMBL10620848 0.79 NQO1 (0.54) L3MBTL1LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4513039 0.78 JAK2 (0.36) CYP3A4L3MBTL1HTTLMNACYP2C19
SCHEMBL1592771 0.78 JAK2 (0.44) CYP2D6JAK2ROCK2PRKCQPRKCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 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 (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-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 TP53 1/4885CYP3A4 1590/4885L3MBTL1 288/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 TP53 1/4885CYP3A4 1590/4885L3MBTL1 288/4885

“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.