SCHEMBL16625321

SCHEMBL16625321

CC(C)(C)[Si](OC1CN(C(=O)c2c(F)cc(Br)cc2F)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
RBP4 P02753 2/20 0.36
RORC P51449 2/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33
SCD O00767 1/20 0.32
BACE1 P56817 1/20 0.32
PDK2 Q15119 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
PARP1 P09874 1/20 0.32
LMNA P02545 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
GLRA1 P23415 1/20 0.31

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
SCHEMBL517028 0.78 RBP4 (0.38) RBP4RORCUSP30KMT2ABACE1
SCHEMBL5724086 0.76 RBP4 (0.36) RBP4RORCKMT2ABACE1
SCHEMBL16616661 0.75 ALDH1A1 (0.46) RORCKMT2ALMNA
SCHEMBL10105773 0.74 RORC (0.46) RORCUSP30
SCHEMBL16625300 0.73 PLA2G1B (0.39) RBP4KMT2APDK2LMNA
SCHEMBL30065370 0.72 MEN1 (0.38) RBP4USP30KMT2ABACE1
SCHEMBL27138398 0.72 KDM1A (0.32) RORCABL1KCNH2
SCHEMBL26985090 0.72 KDM1A (0.32) RORCABL1KCNH2
SCHEMBL5723900 0.70 SMN1; SMN2 (0.47) RORCKMT2APDK2
SCHEMBL29051803 0.70 MEN1 (0.36) RBP4USP30KMT2ABACE1

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
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 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 (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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 HCRTR1 4775/4885HCRTR2 4613/4885RBP4 4470/4885

“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.