SCHEMBL12499604

SCHEMBL12499604

CCOC(C(=O)OC)c1c(-c2ccc(C)cc2C)c2ccccc2c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.39
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 1/20 0.34
SMAD3 P84022 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
SCHEMBL12499540 0.90 TACR1 (0.40) TACR1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL12687173 0.88 TACR1 (0.38) TACR1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL12498676 0.85 TACR1 (0.40) TACR1ALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL12499336 0.84 TACR1 (0.38) TACR1ALDH1A1TP53KDM4ESMN1; SMN2
SCHEMBL12499632 0.84 TACR1 (0.40) TACR1ALDH1A1TP53SMN1; SMN2LMNA
SCHEMBL12498474 0.82 TACR1 (0.38) TACR1TP53POLBMEN1KMT2A
SCHEMBL12499077 0.82 TACR1 (0.38) TACR1TP53POLBMEN1KMT2A
SCHEMBL15346442 0.80 TACR1 (0.38) TACR1LMNAPOLBCRHR1MAPT
SCHEMBL12498745 0.78 TACR1 (0.40) TACR1CRHR1
SCHEMBL12499967 0.77 TACR1 (0.41) TACR1ALDH1A1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO disclosed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 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 (1 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-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 TACR1 4212/4885ALDH1A1 3054/4885TP53 1124/4885

“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.