SCHEMBL1283223

SCHEMBL1283223

Nc1ccc(Oc2ccc(F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NLRP1 Q9C000 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KIF11 P52732 1/20 0.47
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AR P10275 2/20 0.46
▸ CDK8 P49336 2/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45

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
SCHEMBL1283424 0.86 KIF11 (0.61) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL7190049 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL29896686 0.84 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL30947894 0.84 TSHR (0.62) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL30947893 0.84 TSHR (0.62) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL8145428 0.82 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL7193522 0.82 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL12583964 0.81 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL4369986 0.81 ST14 (0.55) MAOBARCDK8HTR2ASLC6A4
SCHEMBL1282625 0.81 AR (0.49) ARCDK8HTR2ASLC6A4KCNH2

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
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

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 526/4885SMN1; SMN2 3545/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3202/4885MAPT 406/4885SMN1; SMN2 3312/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885SMN1; SMN2 3253/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885SMN1; SMN2 3253/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B ALDH1A1 3093/4885MAPT 430/4885SMN1; SMN2 3253/4885

“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.

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