SCHEMBL10271202

SCHEMBL10271202

CCOc1cc(-c2nc(C(C)C)cs2)nc2cc(OC)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
DUSP3 P51452 1/20 0.36
SREBF2 Q12772 1/20 0.36
CTSG P08311 1/20 0.36
KLK7 P49862 1/20 0.36
KLK14 Q9P0G3 1/20 0.36
KLK5 Q9Y337 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8244066 0.90 SMN1; SMN2 (0.54) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL3427491 0.87 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL10271655 0.85 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL3478856 0.85 TACR3 (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL10220208 0.85 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL12362342 0.83 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL15216084 0.82 ACHE (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL313100 0.82 CYP19A1 (0.40) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL995659 0.82 CYP1A2 (0.39) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1
SCHEMBL3429850 0.80 SMN1; SMN2 (0.38) KDM4EALDH1A1SMN1; SMN2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 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 (3 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-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 KDM4E 2399/4885ALDH1A1 2504/4885SMN1; SMN2 3291/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885SMN1; SMN2 1564/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885ALDH1A1 3957/4885SMN1; SMN2 1564/4885

“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.