SCHEMBL16019487

SCHEMBL16019487

c1ccc2c(c1)[nH]c1nc(C3COC3)ncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.42
ACHE P22303 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK10 P53779 1/20 0.36
CASP7 P55210 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
GPR3 P46089 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35

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
SCHEMBL16019490 0.86 CA5A (0.40) CA5AACHEPDK1PDK2POLB
SCHEMBL16019486 0.81 CA5A (0.43) CA5AACHEPDK1PDK2POLB
SCHEMBL16019479 0.79 HTR2A (0.49) CA5APDK1PDK2KDM4EPARP1
SCHEMBL6646652 0.74 DRD2 (0.51)
SCHEMBL16009917 0.70 PDK2 (0.52) CA5AACHEPDK1PDK2POLB
SCHEMBL31511342 0.70 CA5A (0.50) CA5AACHEPOLBSMN1; SMN2NPC1
SCHEMBL14092951 0.70 CA5A (0.59) CA5AACHEPOLBSMN1; SMN2NPC1
SCHEMBL1101892 0.67 CA5A (0.46) CA5AACHEPOLBSMN1; SMN2NPC1
SCHEMBL16019518 0.67 CA5A (0.46) CA5APOLBSMN1; SMN2NPC1TP53
SCHEMBL16019481 0.67 ALDH1A1 (0.49) CA5AACHEPOLBSMN1; SMN2NPC1

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 CA5A 3974/4885ACHE 4615/4885PDK1 3372/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CA5A 3974/4885ACHE 4615/4885PDK1 3372/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CA5A 3974/4885ACHE 4615/4885PDK1 3372/4885

“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.