SCHEMBL2072476

SCHEMBL2072476

O=C(Nc1nccs1)c1cccc(B(O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 7/20 0.65
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NPSR1 Q6W5P4 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.59
SCD O00767 1/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.56
RECQL P46063 2/20 0.56
ALDH1A1 P00352 2/20 0.56

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
SCHEMBL27760115 0.83 NPC1 (0.68) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL2557984 0.83 RAB9A (0.68) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL27739695 0.82 NPC1 (0.70) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL22348631 0.81 NPC1 (0.69) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL8555330 0.81 TP53 (0.70) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL7357499 0.81 NPC1 (0.68) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
Water SCHEMBL27805628 0.80 NPC1 (0.67) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL995829 0.79 NPC1 (1.00) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL28461611 0.78 SIRT2 (0.70) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
Hydrochloric Acid SCHEMBL27594584 0.78 NPC1 (0.97) NPC1RAB9AKCNK3KCNK9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9012651-B2 TRPV3 modulators ABBVIE INC. (US) 2015-04-21 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
WO-2009108912-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2009-09-03 WO disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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 (5 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-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 NPC1 833/4885RAB9A 2865/4885KCNK3 205/4885
US-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R NPC1 628/4885RAB9A 940/4885KCNK3 2784/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R NPC1 628/4885RAB9A 940/4885KCNK3 2784/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 NPC1 4507/4885RAB9A 4378/4885KCNK3 2127/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 NPC1 4507/4885RAB9A 4378/4885KCNK3 2127/4885

“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.