Sugi Predict

Sugi Predict / Compounds / SCHEMBL71218

SCHEMBL71218

SCHEMBL71218

O=C(O)c1cn(-c2cccnc2)nn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESRRA P11474 2/20 0.47
▸ MIF P14174 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.43
▸ APP P05067 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HCAR3 P49019 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ GRM1 Q13255 2/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ SPR P35270 1/20 0.41
▸ HSD11B1 P28845 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40

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
SCHEMBL27768446 0.89 ESRRA (0.51) ESRRAMIFCYP2A6GRM1GRM5
SCHEMBL30398916 0.86 ESRRA (0.46) ESRRAMIFCYP2A6GRM1GRM5
SCHEMBL69876 0.83 ESRRA (0.62) ESRRAMIFSPRCA1CA2
SCHEMBL12571597 0.82 CA12 (0.55) ESRRAMIFALDH1A1GRM1GRM5
SCHEMBL1083385 0.82 ESRRA (0.43) ESRRAMIFCYP2A6GRM1GRM5
SCHEMBL28801446 0.82 ESRRA (0.60) ESRRAMIFSPRCA1CA2
SCHEMBL71676 0.81 RIPK1 (0.49) MIFALDH1A1RIPK1
SCHEMBL4708257 0.80 MAOA (0.49) ESRRAALDH1A1SPRCA1CA2
SCHEMBL6071540 0.79 HCAR2 (0.42) ESRRAHCAR2SPRCA1CA2
SCHEMBL2113115 0.79 NPC1 (0.51) ESRRAALDH1A1SPRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 — — US claimed
CN-102036558-A Novel piperidine derivatives as stearoyl-CoA desaturase inhibitors FOREST LAB HOLDINGS LTD 2011-04-27 — — CN claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 — — WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 — — US claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 — — WO claimed
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO claimed
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-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 — — 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-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — 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 (7 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 ESRRA 2415/4885MIF 4627/4885ALDH1A1 969/4885
US-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC ESRRA 3232/4885MIF 4294/4885ALDH1A1 934/4885
US-11691992-B2 Oxaborole analogs and uses thereof OXA1L, EPX, OAT ESRRA 3125/4885MIF 397/4885ALDH1A1 486/4885
US-20210253605-A1 NOVEL OXABOROLE ANALOGS AND USES THEREOF OXA1L, AOX1, EPX ESRRA 3761/4885MIF 366/4885ALDH1A1 626/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 ESRRA 2411/4885MIF 4662/4885ALDH1A1 784/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ESRRA 4784/4885MIF 288/4885ALDH1A1 178/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 ESRRA 4333/4885MIF 203/4885ALDH1A1 648/4885

“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.