SCHEMBL16019481

SCHEMBL16019481

OCc1ncc2c(n1)[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CA5A P35218 1/20 0.46
HSD17B10 Q99714 2/20 0.41
GPR3 P46089 1/20 0.41
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PDE5A O76074 1/20 0.39
GABRP O00591 4/20 0.39
GABRD O14764 4/20 0.39
GABRA1 P14867 4/20 0.39
GABRB1 P18505 4/20 0.39
GABRG2 P18507 4/20 0.39

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
SCHEMBL16019518 0.84 CA5A (0.46) ALDH1A1CA5AHSD17B10GPR3RAB9A
SCHEMBL30789845 0.81 CA5A (0.44) ALDH1A1CA5AHSD17B10GPR3RAB9A
SCHEMBL16019516 0.81 GABRP (0.47) ALDH1A1CA5AHSD17B10RAB9ASMN1; SMN2
SCHEMBL16019495 0.76 HTT (0.47) ALDH1A1CA5AHSD17B10RAB9APOLB
SCHEMBL31511342 0.75 CA5A (0.50) ALDH1A1CA5AHSD17B10GPR3RAB9A
SCHEMBL14092951 0.75 CA5A (0.59) ALDH1A1CA5AHSD17B10GPR3RAB9A
SCHEMBL16009917 0.75 PDK2 (0.52) ALDH1A1CA5AHSD17B10GPR3RAB9A
SCHEMBL16019513 0.74 HTR2A (0.50) ALDH1A1CA5APOLBSMN1; SMN2TP53
SCHEMBL16019515 0.74 HPGD (0.49) ALDH1A1HSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL31465609 0.73 KMT2A (0.50) ALDH1A1CA5AHSD17B10RAB9ANPC1

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
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 (2 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ALDH1A1 4162/4885CA5A 3974/4885HSD17B10 2887/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 ALDH1A1 4162/4885CA5A 3974/4885HSD17B10 2887/4885

“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.