SCHEMBL72211

SCHEMBL72211

CCOC(=O)c1cn(-c2ccccc2)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
ESRRA P11474 2/20 0.57
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
TP53 P04637 1/20 0.55
ALOX12 P18054 1/20 0.55
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SPR P35270 1/20 0.53
APP P05067 1/20 0.52
PFKFB3 Q16875 1/20 0.52

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
SCHEMBL31734378 0.91 ALDH1A1 (0.54) ALDH1A1LMNANPC1RAB9AESRRA
SCHEMBL2041625 0.87 CA1 (0.57) ALDH1A1LMNANPC1RAB9AESRRA
SCHEMBL12442707 0.86 NPC1 (0.59) ALDH1A1LMNANPC1RAB9AESRRA
SCHEMBL16245852 0.86 NPC1 (0.59) ALDH1A1LMNANPC1RAB9AGABRA2
SCHEMBL2113115 0.85 NPC1 (0.51) ALDH1A1LMNANPC1RAB9AESRRA
SCHEMBL14692525 0.85 POLB (0.59) ALDH1A1LMNAESRRAGABRA2GABRB2
SCHEMBL2194020 0.85 SMN1; SMN2 (0.55) ALDH1A1LMNAGABRA2GABRB2CA1
SCHEMBL6769727 0.84 KDM4E (0.62) ALDH1A1LMNANPC1ESRRAGABRA2
SCHEMBL15881999 0.84 ESRRA (0.56) ALDH1A1LMNAESRRAGABRA2GABRB2
SCHEMBL12571591 0.83 CA12 (0.66) NPC1ESRRACA1CA2CA9

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-11691992-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-07-04 US disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 US disclosed
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS INC (US) 2021-08-19 US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
EP-3609504-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF Anacor Pharmaceuticals, Inc. (US) 2020-02-19 EP disclosed
WO-2018160845-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2018-09-07 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 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 (6 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885LMNA 2028/4885NPC1 206/4885
US-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT ALDH1A1 486/4885LMNA 2380/4885NPC1 818/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX ALDH1A1 626/4885LMNA 3262/4885NPC1 645/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 784/4885LMNA 1905/4885NPC1 201/4885
US-10961261-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT ALDH1A1 486/4885LMNA 2380/4885NPC1 818/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ALDH1A1 969/4885LMNA 2028/4885NPC1 206/4885

“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.