SCHEMBL5458965

SCHEMBL5458965

COc1ccc(NC(=O)N2CCNCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.73
BLM P54132 1/20 0.69
CYP2C19 P33261 2/20 0.65
CYP3A4 P08684 1/20 0.65
KMT2A Q03164 3/20 0.64
POLB P06746 1/20 0.63
CYP2D6 P10635 2/20 0.63
CYP1A2 P05177 1/20 0.63
TSHR P16473 1/20 0.63
TAS1R3 Q7RTX0 1/20 0.61
TAS1R1 Q7RTX1 1/20 0.61
TAS1R2 Q8TE23 1/20 0.61
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
CYP2C9 P11712 1/20 0.57
MEN1 O00255 1/20 0.56
FAAH O00519 1/20 0.55

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
Hydrochloric Acid SCHEMBL28230851 0.91 MAPT (0.66) MAPTSMN1; SMN2BLMCYP2C19CYP3A4
SCHEMBL28869329 0.89 MAPT (1.00) MAPTSMN1; SMN2BLMCYP2C19KMT2A
Tert-Butyl Formate SCHEMBL28032936 0.89 MAPT (0.63) MAPTSMN1; SMN2BLMCYP2C19CYP3A4
SCHEMBL4559572 0.86 SMN1; SMN2 (0.91) MAPTSMN1; SMN2BLMCYP2C19CYP3A4
SCHEMBL8361624 0.86 SMN1; SMN2 (0.97) MAPTSMN1; SMN2BLMCYP3A4KMT2A
SCHEMBL6716470 0.85 MAPT (0.65) MAPTSMN1; SMN2BLMCYP2C19CYP3A4
SCHEMBL5195426 0.84 SMN1; SMN2 (1.00) MAPTSMN1; SMN2BLMKMT2ACYP2D6
SCHEMBL13097610 0.84 POLB (0.58) MAPTSMN1; SMN2BLMCYP2C19CYP3A4
SCHEMBL27647454 0.84 KMT2A (0.61) MAPTSMN1; SMN2CYP2C19KMT2APOLB
SCHEMBL3949148 0.83 MAPT (0.88) MAPTSMN1; SMN2BLMCYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein 2026-05-26 CN disclosed
EP-4678234-A1 ANTAGONIST HETEROCYCLIC COMPOUNDS INVOLVED IN THE CGAS-STING ROUTE Centre National de la Recherche Scientifique (FR) 2026-01-14 EP disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 CN disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
EP-3127912-B1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF UNIV ZHEJIANG (CN) 2021-04-21 EP disclosed
CN-104945470-B Tripeptide epoxy ketone compound constructed by heterocycle, preparation and application 浙江大学 2020-08-11 CN disclosed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
US-9856288-B2 Tripeptide epoxyketone compound constructed by heterocycle and preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2018-01-02 US disclosed
EP-3127912-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF Zhejiang University (CN) 2017-02-08 EP disclosed
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA , CHINESE ACADEMY OF SCIENCES (CN) 2017-01-26 US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-4607034-A HYPOTENSIVE AGENTS MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1986-08-19 US disclosed
EP-0028031-B1 NOVEL QUINAZOLINE DERIVATIVES, A PHARMACEUTICAL COMPOSITION CONTAINING SUCH DERIVATIVES AS ACTIVE INGREDIENT AND A PROCESS FOR PRODUCING THE QUINAZOLINE DERIVATIVES Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1983-09-07 EP disclosed
EP-0028031-A1 Novel quinazoline derivatives, a pharmaceutical composition containing such derivatives as active ingredient and a process for producing the quinazoline derivatives Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-05-06 EP 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 (2 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B MAPT 1504/4885SMN1; SMN2 674/4885BLM 4131/4885
US-20170022250-A1 TRIPEPTIDE EPOXYKETONE COMPOUND CONSTRUCTED BY HETEROCYCLE AND PREPARATION METHOD AND USE THEREOF VIP, DNPEP, PREP MAPT 4792/4885SMN1; SMN2 4538/4885BLM 2674/4885

“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.