SCHEMBL2113115

SCHEMBL2113115

CCOC(=O)c1cn(-c2cccnc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
LMNA P02545 1/20 0.50
ESRRA P11474 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SPR P35270 1/20 0.48
GABRA2 P47869 3/20 0.47
GABRB2 P47870 3/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PFKFB3 Q16875 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL12571597 0.85 CA12 (0.55) CA1CA2CA9ALDH1A1CA12
SCHEMBL72211 0.85 ALDH1A1 (0.63) NPC1RAB9ACA1CA2CA9
SCHEMBL27768446 0.81 ESRRA (0.51) CA1CA2CA9CA4ESRRA
SCHEMBL12571508 0.81 KMT2A (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL369853 0.80 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL31734378 0.80 ALDH1A1 (0.54) NPC1RAB9ACA1CA2CA9
SCHEMBL14692525 0.80 POLB (0.59) CA1CA2CA9ALDH1A1CA12
SCHEMBL71218 0.79 ESRRA (0.47) CA1CA2CA9ALDH1A1CA4
SCHEMBL2041625 0.79 CA1 (0.57) NPC1RAB9ACA1CA2CA9
SCHEMBL15881999 0.79 ESRRA (0.56) CA1CA2CA9ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10961261-B2 Oxaborole analogs and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-03-30 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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 (4 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-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT NPC1 818/4885RAB9A 2351/4885CA1 1411/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX NPC1 645/4885RAB9A 1725/4885CA1 2840/4885
US-10961261-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT NPC1 818/4885RAB9A 2351/4885CA1 1411/4885
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE NPC1 4000/4885RAB9A 717/4885CA1 2856/4885

“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.