SCHEMBL4906689

SCHEMBL4906689

O=Cc1ccnc(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.58
MAOB P27338 7/20 0.58
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CDK4 P11802 2/20 0.42
CCNB1 P14635 2/20 0.42
CCND1 P24385 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRA5 P31644 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL9756837 0.81 ALDH1A1 (0.63) RAB9APKMSMN1; SMN2
SCHEMBL9756836 0.81 ALDH1A1 (0.63) RAB9APKMSMN1; SMN2
SCHEMBL25287116 0.77 MAOA (0.57) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL31104828 0.77 MAOA (0.57) MAOAMAOBRAB9ANPC1TDP1
SCHEMBL510599 0.77 MAOA (0.53) MAOAMAOBRAB9ANPC1CCNB2
SCHEMBL2892270 0.77 LOXL2 (0.53) MAOAMAOBRAB9ANPC1MAPT
SCHEMBL31624114 0.77 MAOA (0.53) MAOAMAOBRAB9ANPC1CCNB2
SCHEMBL14745014 0.76 GABRA5 (0.61) MAOAMAOBRAB9ANPC1GABRA5
SCHEMBL7399408 0.76 ALDH1A1 (0.49) TDP1ACACBMAPTL3MBTL1
SCHEMBL510142 0.75 ALDH1A1 (0.54) MAOAMAOBRAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF MAOA 917/4885MAOB 869/4885RAB9A 354/4885
US-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD MAOA 3167/4885MAOB 2688/4885RAB9A 3232/4885

“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.