Sugi Predict

Sugi Predict / Compounds / SCHEMBL17643556

SCHEMBL17643556

SCHEMBL17643556

CC(C)(C)C(=O)C(=Cc1cccc(I)c1)n1cncn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.69
▸ LMNA P02545 6/20 0.69
▸ RAB9A P51151 5/20 0.69
▸ HTT P42858 5/20 0.69
▸ PKM P14618 5/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ NPC1 O15118 4/20 0.69
▸ HPGD P15428 4/20 0.69
▸ ATM Q13315 4/20 0.69
▸ XBP1 P17861 2/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.69
▸ TP53 P04637 2/20 0.69
▸ S1PR2 O95136 1/20 0.69
▸ S1PR4 O95977 1/20 0.69
▸ S1PR1 P21453 1/20 0.69
▸ AGTR1 P30556 1/20 0.69
▸ RAB27A P51159 1/20 0.69
▸ PAX8 Q06710 1/20 0.69
▸ MITF O75030 1/20 0.66
▸ POLB P06746 1/20 0.58

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
SCHEMBL19178453 1.00 MAPT (0.69) MAPTLMNARAB9AHTTPKM
SCHEMBL19188284 0.87 MAPT (0.71) MAPTLMNARAB9AHTTPKM
SCHEMBL17643531 0.87 MAPT (0.71) MAPTLMNARAB9AHTTPKM
SCHEMBL8781976 0.86 MAPT (0.69) MAPTLMNARAB9AHTTPKM
SCHEMBL8781975 0.86 MAPT (0.69) MAPTLMNARAB9AHTTPKM
SCHEMBL19178454 0.85 RAB9A (0.77) MAPTLMNARAB9AHTTPKM
SCHEMBL17643613 0.85 RAB9A (0.77) MAPTLMNARAB9AHTTPKM
SCHEMBL8781969 0.85 MAPT (0.80) MAPTLMNARAB9AHTTPKM
SCHEMBL8781966 0.85 MAPT (0.80) MAPTLMNARAB9AHTTPKM
SCHEMBL27940542 0.84 RAB9A (0.67) MAPTLMNARAB9AHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3199528-B1 ABSCINAZOLE UNIV SHIZUOKA NAT UNIV CORP (JP) 2019-02-20 — — EP disclosed
EP-3199528-B1 ABSCINAZOLE UNIV SHIZUOKA NAT UNIV CORP (JP) 2019-02-20 — — EP disclosed
US-9820487-B2 Abscinazole NATIONAL UNIVERSITY OF SHIZUOKA UNIVERSITY (JP) 2017-11-21 — — US disclosed
US-9820487-B2 Abscinazole NATIONAL UNIVERSITY OF SHIZUOKA UNIVERSITY (JP) 2017-11-21 — — US disclosed
US-9820487-B2 Abscinazole NATIONAL UNIVERSITY OF SHIZUOKA UNIVERSITY (JP) 2017-11-21 — — US disclosed
US-20170290335-A1 ABSCINAZOLE NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2017-10-12 — — US disclosed
US-20170290335-A1 ABSCINAZOLE NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2017-10-12 — — US disclosed
US-20170290335-A1 ABSCINAZOLE NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2017-10-12 — — US disclosed
EP-3199528-A1 ABSCINAZOLE National University Corporation Shizuoka University (JP) 2017-08-02 — — EP disclosed
EP-3199528-A1 ABSCINAZOLE National University Corporation Shizuoka University (JP) 2017-08-02 — — EP disclosed
WO-2016047533-A1 ABSCINAZOLE 国立大学法人静岡大学 2016-03-31 — — 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 (1 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-20170290335-A1 ABSCINAZOLE CYP7A1, CYP7B1, CYP21A2 MAPT 4685/4885LMNA 4669/4885RAB9A 868/4885

“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.