SCHEMBL1284070

SCHEMBL1284070

CC(C)(C)c1cccc(Oc2ccc(N)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
MAPT P10636 5/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
HPGD P15428 1/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MITF O75030 1/20 0.66
GAA P10253 1/20 0.66
GFER P55789 1/20 0.66
NLRP1 Q9C000 1/20 0.66
NOD2 Q9HC29 1/20 0.66
MAOA P21397 2/20 0.53
CYP3A4 P08684 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL29436314 0.89 ALDH1A1 (0.66) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL312282 0.89 ALDH1A1 (0.66) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL30933053 0.89 ALDH1A1 (0.66) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL8056195 0.88 ALDH1A1 (0.63) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL31563610 0.87 MAOB (0.60) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL13474891 0.87 MAPT (0.57) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL21557377 0.87 MAOB (0.56) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL18118971 0.87 CYP3A4 (0.59) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL5671239 0.85 CYP2C9 (0.54) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL15576545 0.85 CYP3A4 (0.57) ALDH1A1MAPTRAB9ANPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed
US-6093790-A POLYIMIDE COATING MATERIAL COMPRISING MONOMERS HAVING PHENOLIC DIETHER AND TERT-BUTYL MOIETIES; THERMAL AND PHYSICAL PROPERTIES NATIONAL SCIENCE COUNCIL (TW) 2000-07-25 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 (5 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3404/4885MAPT 526/4885RAB9A 3140/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3202/4885MAPT 406/4885RAB9A 3225/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885RAB9A 3080/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885RAB9A 3080/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885RAB9A 3080/4885

“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.