SCHEMBL15929449

SCHEMBL15929449

COc1ccccc1Cn1ccnc1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
DBH P09172 1/20 0.51
LMNA P02545 2/20 0.51
HSP90AA1 P07900 1/20 0.49
HSP90B1 P14625 1/20 0.49
KCNH2 Q12809 1/20 0.48
P2RX7 Q99572 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29900980 0.85 LMNA (0.51) ALDH1A1LMNAKCNH2P2RX7MEN1
SCHEMBL10593660 0.83 ALDH1A1 (0.50) ALDH1A1DBHLMNAHSP90AA1HSP90B1
SCHEMBL28106496 0.82 KCNH2 (0.50) ALDH1A1LMNAHSP90AA1HSP90B1KCNH2
SCHEMBL22628611 0.81 LMNA (0.55) ALDH1A1DBHLMNAHSP90AA1HSP90B1
SCHEMBL15928086 0.81 TDP1 (0.54) ALDH1A1DBHLMNAHSP90AA1HSP90B1
SCHEMBL30613500 0.80 ADRA2C (0.58) ALDH1A1LMNAHSP90AA1HSP90B1P2RX7
SCHEMBL4854789 0.80 KCNH2 (0.48) LMNAHSP90AA1HSP90B1KCNH2TSHR
SCHEMBL19462110 0.79 AKT1 (0.47) ALDH1A1DBHLMNAHSP90AA1HSP90B1
SCHEMBL4086994 0.78 LMNA (0.45) ALDH1A1LMNAKCNH2KMT2ATSHR
SCHEMBL17864810 0.76 ALDH1A1 (0.72) ALDH1A1LMNAKCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 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 (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-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ALDH1A1 372/4885DBH 2342/4885LMNA 3225/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ALDH1A1 372/4885DBH 2342/4885LMNA 3225/4885

“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.