SCHEMBL4083971

SCHEMBL4083971

COc1cccc(-c2ccc(Cl)c(N)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MAP4K4 O95819 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP4B1 P13584 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP3A5 P20815 1/20 0.48
CYP2A7 P20853 1/20 0.48
CYP3A7 P24462 1/20 0.48
CYP2F1 P24903 1/20 0.48
CYP2C18 P33260 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2J2 P51589 1/20 0.48
CYP4F2 P78329 1/20 0.48

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
SCHEMBL3725544 0.86 CYP3A4 (0.57) MAOBMAP4K4CYP3A4CYP1A1CYP1A2
SCHEMBL29655214 0.84 MAOB (0.56) MAOBMAP4K4CYP3A4CYP1A1CYP1A2
SCHEMBL21586174 0.81 DYRK1A (0.51) MAOBCYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL1335447 0.81 CYP3A4 (0.55) MAOBMAP4K4CYP3A4CYP1A1CYP1A2
SCHEMBL10168703 0.80 HSD17B1 (0.42) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29274145 0.79 MAOB (0.51) MAOBMAP4K4CYP3A4CYP1A1CYP1A2
SCHEMBL110854 0.79 ALDH1A1 (0.57) CYP3A4ALDH1A1KDM4EKMT2A
SCHEMBL1180343 0.79 ABL1 (0.69) MAOBCYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL196765 0.79 CYP3A4 (0.73) MAOBCYP3A4CYP1A1CYP1A2CYP2E1
SCHEMBL29489425 0.79 CYP3A4 (0.73) MAOBCYP3A4CYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAOB 4120/4885MAP4K4 448/4885CYP3A4 4857/4885

“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.