SCHEMBL15730355

SCHEMBL15730355

Cc1c[nH]c2ccc(O)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
MGAM O43451 7/20 0.33
GAA P10253 7/20 0.33
SI P14410 7/20 0.33
MGAM2 Q2M2H8 7/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL7928100 0.79 CCR1 (0.46) ATMKMT2A
SCHEMBL17175158 0.76 HTR1D (0.49) ATMGAALMNA
SCHEMBL3222307 0.76 ATM (0.36) ATMMGAMGAASIMGAM2
SCHEMBL17066966 0.76 MTNR1A (0.42) LMNAMEN1KMT2AMTNR1AMTNR1B
SCHEMBL18853863 0.76 FFAR1 (0.33) LMNA
SCHEMBL3219741 0.73 HTR1D (0.51) ATMMEN1KMT2AMTNR1AMTNR1B
SCHEMBL30577622 0.73 PIM1 (0.42) ATMMEN1KMT2A
SCHEMBL14961107 0.73 MTNR1A (0.43) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL29957479 0.72 CYP2A6 (0.42) MEN1KMT2A
SCHEMBL17026983 0.72 AHR (0.35) ATM

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 7 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 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
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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 (4 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 ATM 3099/4885MGAM 2206/4885GAA 18/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD ATM 3099/4885MGAM 2206/4885GAA 18/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ATM 4697/4885MGAM 2864/4885GAA 148/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN ATM 4697/4885MGAM 2864/4885GAA 148/4885

“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.