SCHEMBL753110

SCHEMBL753110

Cc1nnc(-c2cccc(I)c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
HPGD P15428 4/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NOTUM Q6P988 2/20 0.44
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42

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
SCHEMBL11964433 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL12974 0.81 HPGD (0.73) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9341650 0.80 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL1186494 0.79 GUSB (0.51) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL14561782 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL10039243 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL7412244 0.79 RAB9A (0.71) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13393581 0.79 TRPM8 (0.60) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL8118542 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL3910760 0.79 MECP2 (0.69) NPC1RAB9ASMN1; SMN2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577360-B2 Arylamide derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-03 US disclosed
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-02 US disclosed
EP-3442960-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-02-20 EP disclosed
WO-2017178510-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-19 WO disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8569285-B2 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-10-29 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 WO disclosed
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 WO disclosed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP disclosed
EP-0794774-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0828493-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-18 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
EP-0794774-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-17 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 WO disclosed
WO-1996038150-A1 4.4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS-MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-05 WO disclosed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
WO-1996019988-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 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 (3 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-10577360-B2 Arylamide derivatives having multimodal activity against pain OPRD1, TRPV1, OPRL1 APP 1629/4885NPC1 2162/4885RAB9A 1982/4885
US-20190127357-A1 ARYLAMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, TRPV1, OPRL1 APP 1629/4885NPC1 2162/4885RAB9A 1982/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD APP 4593/4885NPC1 1549/4885RAB9A 1688/4885

“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.