Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744730

SCHEMBL2744730

SCHEMBL2744730

NC(=O)c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ MAPT P10636 4/20 0.59
▸ GAA P10253 1/20 0.59
▸ LMNA P02545 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ HTT P42858 3/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.57
▸ POLB P06746 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ ALDH3A1 P30838 1/20 0.55
▸ ALDH1A3 P47895 1/20 0.55
▸ AKR1C3 P42330 1/20 0.54
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ USP30 Q70CQ3 1/20 0.49

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
SCHEMBL30689191 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL1665694 0.86 SMN1; SMN2 (0.59) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL4093686 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL3120753 0.84 ALDH1A1 (0.54) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL15777997 0.84 SMN1; SMN2 (0.70) SMN1; SMN2MAPTGAALMNAMAPK1
SCHEMBL4963219 0.84 ALDH1A1 (0.62) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL2744383 0.83 ALDH1A1 (0.55) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL2744372 0.83 ALDH1A1 (0.53) SMN1; SMN2MAPTGAALMNAKMT2A
SCHEMBL1397520 0.83 HPGD (0.68) SMN1; SMN2MAPTLMNAHTTMAPK1
SCHEMBL11062391 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGAALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 — — CN claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 — — WO claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 — — US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 — — US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 — — CN disclosed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — 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 (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-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR SMN1; SMN2 4283/4885MAPT 2530/4885GAA 402/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 SMN1; SMN2 3424/4885MAPT 4534/4885GAA 2972/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS SMN1; SMN2 1866/4885MAPT 4774/4885GAA 1250/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3605/4885MAPT 4520/4885GAA 2406/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A SMN1; SMN2 594/4885MAPT 653/4885GAA 382/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B SMN1; SMN2 599/4885MAPT 661/4885GAA 411/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3605/4885MAPT 4520/4885GAA 2406/4885

“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.