Sugi Predict

Sugi Predict / Compounds / SCHEMBL1907404

SCHEMBL1907404

SCHEMBL1907404

O=C(N[C@H]1CCSC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.53
▸ SMYD3 Q9H7B4 2/20 0.51
▸ PKM P14618 1/20 0.50
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ EZH2 Q15910 1/20 0.48
▸ CARM1 Q86X55 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GRM5 P41594 1/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ MAPT P10636 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
SCHEMBL1456877 1.00 MEN1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1456878 1.00 MEN1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL15688484 0.86 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL22187018 0.80 ELANE (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2230140 0.80 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL124395 0.80 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27945424 0.78 NPC1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Bicarbonate SCHEMBL11025569 0.78 NPC1 (0.76) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL17627163 0.77 NPC1 (0.68) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL161227 0.77 NPC1 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10118920-B2 Isoxazolyl substituted benzimidazoles CELLCENTRIC LTD (GB) 2018-11-06 — — US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 — — US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 — — US disclosed
EP-3286183-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES Cellcentric Ltd (GB) 2018-02-28 — — EP disclosed
US-9738632-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-08-22 — — US disclosed
US-9738632-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-08-22 — — US disclosed
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-03-23 — — US disclosed
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2017-03-23 — — US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 — — US disclosed
US-9512110-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2016-12-06 — — US disclosed
US-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives ASTRAZENECA AB (SE) 2012-11-29 — — US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 — — US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 — — US disclosed
US-8211930-B2 Phenyl and benzodioxinyl substituted indazoles derivatives ASTRAZENECA AB (SE) 2012-07-03 — — US disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 — — WO disclosed
WO-2011061527-A1 COMBINATIONS COMPRISING A GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-05-26 — — WO disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 — — US disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 — — US disclosed
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-08 — — US disclosed
WO-2009142571-A1 PHENYL AND BENZODIOXINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 — — 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 (5 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-20120302617-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, CYP4X1, CYP3A7 MEN1 3388/4885KMT2A 4494/4885NPC1 515/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 MEN1 3014/4885KMT2A 729/4885NPC1 1768/4885
US-20100087489-A1 Phenyl and Benzodioxinyl Substituted Indazoles Derivatives CYP3A5, ABCB1, CYP4X1 MEN1 3539/4885KMT2A 4571/4885NPC1 249/4885
US-20170081315-A1 Phenyl and benzodioxinyl substituted indazoles derivatives CYP3A5, ABCB1, CYP4X1 MEN1 3539/4885KMT2A 4571/4885NPC1 249/4885
US-10118920-B2 Isoxazolyl substituted benzimidazoles EP300, HDAC3, HDAC1 MEN1 3014/4885KMT2A 729/4885NPC1 1768/4885

“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.