SCHEMBL6633619

SCHEMBL6633619

O=C(Nc1ccccc1)c1ccon1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
PYGM P11217 1/20 0.52
RAB9A P51151 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
RAPGEF3 O95398 1/20 0.50
RAPGEF4 Q8WZA2 1/20 0.50
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.47
HTT P42858 1/20 0.47
PTGS2 P35354 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CNR1 P21554 1/20 0.46
KDR P35968 1/20 0.46
PTPN1 P18031 1/20 0.46

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
SCHEMBL31411873 0.84 KDM4E (0.55) KDM4EKMT2AHIF1AHTT
SCHEMBL29348788 0.83 NPC1 (0.53) POLBSMN1; SMN2PYGMRAB9ANPC1
SCHEMBL31411958 0.82 HSD17B10 (0.62) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL21348471 0.81 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AALDH1A1KDM4ENPC1
SCHEMBL31411928 0.79 BCAT2 (0.51) POLBSMN1; SMN2PYGMRAB9AALDH1A1
SCHEMBL21348470 0.78 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AALDH1A1NPC1NFKB1
SCHEMBL21695728 0.78 ALDH1A1 (0.55) POLBSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL31411895 0.77 NPC1 (0.61) SMN1; SMN2RAB9AALDH1A1KDM4ENPC1
SCHEMBL3759873 0.76 SMN1; SMN2 (0.41) SMN1; SMN2PYGMRAB9AALDH1A1KDM4E
SCHEMBL9512937 0.75 TSHR (0.48) POLBSMN1; SMN2ALDH1A1NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US claimed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP claimed
WO-2015196071-A9 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-02-18 WO claimed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO claimed
EP-1419161-A1 SUBSTITUTED-HETEROARYL-7-AZA 2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-05-19 EP claimed
WO-2003018585-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-03-06 WO claimed
EP-0026873-B1 ISOXAZOLECARBOXYLIC ACID ANILIDES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS AND PROCESS FOR COMBATING FUNGI BASF Aktiengesellschaft (DE) 1982-10-06 EP claimed
US-4328236-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US claimed
WO-2019005563-A1 METHODS RELATED TO ACTIVATION OF THE BONE MORPHOGENIC PROTEIN SIGNALING PATHWAY ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-01-03 WO disclosed
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2016-02-25 US disclosed
US-9212209-B2 Screening methods for spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-15 US disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO disclosed
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2014-07-10 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
EP-0821960-B1 Use of xanthine derivatives combined with a 5-substituted-isoxazole-4-carboxamide derivative and/or a 2-cyano-3-hydroxycrotonamide derivative for the modulation of apoptosis HOECHST AG (DE) 2003-04-09 EP disclosed
US-4328236-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-4328236-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-4328236-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 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 (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-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, MTPN POLB 454/4885SMN1; SMN2 1/4885PYGM 7/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD POLB 1539/4885SMN1; SMN2 2426/4885PYGM 4210/4885
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH POLB 1651/4885SMN1; SMN2 25/4885PYGM 3318/4885
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MYOF, MTPN POLB 438/4885SMN1; SMN2 1/4885PYGM 6/4885

“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.