Sugi Predict

Sugi Predict / Compounds / SCHEMBL12398

SCHEMBL12398

SCHEMBL12398

O=C(CC1CCCCC1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ CNR2 P34972 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL3700457 1.00 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3706069 1.00 KDM4E (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3704195 0.98 NAMPT (0.50) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3707477 0.96 NAMPT (0.49) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3698852 0.96 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3704706 0.93 NAMPT (0.55) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL3711838 0.91 NAMPT (0.56) KDM4EALDH1A1HSD17B10SMN1; SMN2NAMPT
SCHEMBL2678553 0.87 KDM4E (0.49) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL13688849 0.84 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10NAMPTCNR2
SCHEMBL3987956 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10NAMPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024133721-A1 COMBINATIONS OF CTPS1 INHIBITOR WITH IAP INHIBITOR FOR USE IN THE TREATMENT OF CANCER STEP PHARMA S.A.S. (FR) 2024-06-27 — — WO disclosed
WO-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2024026064-A1 ENHANCING ANTIMETASTASIS ACTIVITY USING TARGETED PROTEIN DEGRADATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2024-02-01 — — WO disclosed
US-20230218669-A1 AUGMENTING ANTIGEN-NEGATIVE CELL DEATH IN ANTIGEN-TARGETED IMMUNOTHERAPIES FRED HUTCHINSON CANCER CENTER (US) 2023-07-13 — — US disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof CHIA TAI TIANGQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-14 — — US disclosed
EP-3936126-A1 COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-01-12 — — EP disclosed
WO-2021255518-A1 COMPOSITIONS AND METHODS FOR TREATING ACUTE MYELOID LEUKEMIA RIKEN (JP) 2021-12-23 — — WO disclosed
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-12-02 — — US disclosed
WO-2021231639-A1 USE OF A MULTIMERIC ANTI-DR5 BINDING MOLECULE IN COMBINATION WITH A CANCER THERAPY FOR TREATING CANCER IGM BIOSCIENCES, INC. (US) 2021-11-18 — — WO disclosed
WO-2021148396-A1 EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2021-07-29 — — WO disclosed
WO-2020228642-A1 CRYSTALLIZATION OF SMAC MIMIC USED AS IAP INHIBITOR AND PREPARATION METHOD THEREOF 正大天晴药业集团股份有限公司 2020-11-19 — — WO disclosed
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 — — EP disclosed
WO-2019165215-A1 METHODS AND COMPOSITIONS COMPRISING CART AND A SMAC MIMETIC THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2019-08-29 — — WO disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 — — WO disclosed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 — — 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA KDM4E 1093/4885ALDH1A1 3185/4885HSD17B10 3456/4885
US-20210371400-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF BIRC7, BIRC5, BIRC2 KDM4E 3023/4885ALDH1A1 3894/4885HSD17B10 3742/4885
US-20230218669-A1 AUGMENTING ANTIGEN-NEGATIVE CELL DEATH IN ANTIGEN-TARGETED IMMUNOTHERAPIES CD47, BAD, CD74 KDM4E 3277/4885ALDH1A1 2689/4885HSD17B10 3746/4885
US-11358950-B2 SMAC mimetics used as IAP inhibitors and use thereof BIRC7, BIRC5, BIRC2 KDM4E 3023/4885ALDH1A1 3894/4885HSD17B10 3742/4885

“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.