SCHEMBL3370400

SCHEMBL3370400

COc1ccc(COc2cc(CCN)nc3c(Cl)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
MAOB P27338 5/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PPARG P37231 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL3370396 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3371049 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3371451 0.77 MAPT (0.41) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL8280354 0.77 PDE2A (0.41) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3375196 0.77 PDE2A (0.40) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL8140232 0.77 PDE2A (0.40) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL3373629 0.75 MAPT (0.39) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL26731735 0.74 MAPT (0.48) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL2702847 0.69 RAB9A (0.52) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL7805490 0.69 KMT2A (0.53) ALDH1A1KDM4EMAPTHPGDMEN1

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-8809267-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-8513186-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-08-20 US disclosed
EP-2162432-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
WO-2009005677-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885KDM4E 2496/4885MAPT 2923/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885KDM4E 2496/4885MAPT 2923/4885

“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.