SCHEMBL16625322

SCHEMBL16625322

CC(C)(C(=O)N1CC(O)C1)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.34
RIPK1 Q13546 1/20 0.34
GPR183 P32249 1/20 0.34
RORC P51449 3/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CNR1 P21554 1/20 0.33
MLNR O43193 1/20 0.33
CYP3A4 P08684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32

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
SCHEMBL3401971 0.76 SMN1; SMN2 (0.55) KMT2APOLBHPGDMEN1NPC1
SCHEMBL4705022 0.73 HSD11B1 (0.52) HSD11B1KMT2AFNTAFNTBCNR1
SCHEMBL15268428 0.73 HSD11B1 (0.44) HSD11B1KDM4EKMT2APOLBCYP3A4
SCHEMBL9681020 0.70 KMT2A (0.42) KMT2APOLBNPSR1MEN1NPC1
SCHEMBL20335412 0.70 HPGD (0.61) HSD11B1KMT2APOLBHPGDGPR183
SCHEMBL15166459 0.69 KDM4E (0.40) HSD11B1KDM4EKMT2APOLBCNR1
SCHEMBL897098 0.69 KMT2A (0.43) KMT2AMEN1NPC1RAB9A
SCHEMBL3052505 0.69 KMT2A (0.41) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL10223172 0.68 PDK1 (0.36) KMT2ARIPK1MEN1
SCHEMBL16625323 0.68 DPP4 (0.46) HSD11B1POLB

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 HSD11B1 3046/4885KDM4E 1190/4885KMT2A 1300/4885

“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.