SCHEMBL397314

SCHEMBL397314

CC(=O)N1CCc2cc(Br)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.69
IDO1 P14902 1/20 0.60
HSD17B3 P37058 2/20 0.58
SLC22A12 Q96S37 1/20 0.58
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58
TUBB6 Q9BUF5 1/20 0.58
TUBB2B Q9BVA1 1/20 0.58
TUBB1 Q9H4B7 1/20 0.58
TRIM24 O15164 1/20 0.57

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
SCHEMBL30021086 1.00 NOTUM (0.69) NOTUMIDO1HSD17B3SLC22A12TUBB4A
SCHEMBL698648 0.90 NOTUM (0.62) NOTUMIDO1HSD17B3CYP11B2KDM4E
SCHEMBL23064005 0.87 SLC22A12 (0.56) NOTUMIDO1HSD17B3SLC22A12TUBB4A
SCHEMBL4543419 0.87 NOTUM (0.67) NOTUMIDO1HSD17B3TRIM24ALDH1A1
SCHEMBL288802 0.85 SLC22A12 (0.59) NOTUMIDO1HSD17B3SLC22A12TUBB4A
SCHEMBL12077343 0.83 ADRB2 (0.55) NOTUMIDO1HSD17B3SLC22A12TUBB4A
SCHEMBL18921803 0.83 ABHD6 (0.64) NOTUMIDO1HSD17B3SLC22A12TUBB4A
SCHEMBL19687695 0.83 CYP11B1 (0.56) SLC22A12TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6072422 0.81 NOTUM (0.73) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL423295 0.81 NOTUM (1.00) NOTUMCYP11B1CYP11B2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS ZINK IMAGING, LLC 2008-03-06 US claimed
WO-2004078874-A2 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS POLAROID CORPORATION (US) 2004-09-16 WO claimed
US-20040171817-A1 Novel dye complexes and use thereof in imaging members and methods ZINK HOLDINGS LLC 2004-09-02 US claimed
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2024-06-20 US disclosed
EP-3702354-B1 COMPOUND HAVING ERK KINASE INHIBITORY ACTIVITY AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2024-05-22 EP disclosed
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy ASTEX THERAPEUTICS LIMITED (GB) 2024-01-09 US disclosed
CN-117143002-A Preparation method of indolinyl acetone 浙江工业大学 2023-12-01 CN disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
CN-116768885-A N 2 -substituted bicyclo-2-aminopyrimidine derivative, preparation method and medical application thereof 浙江大学 2023-09-19 CN disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
US-5538973-A ANTIHISTAMINE, THROMBOXANE A2 ANTAGONIST KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0597112-A1 NOVEL IMIDAZOLE DERIVATIVE, PHARMACEUTICAL USE THEREOF, AND INTERMEDIATE THEREFOR Kyoto Pharmaceutical Industries, Ltd. (JP) 1994-05-18 EP disclosed
EP-0227823-B1 COLOR TRANSFER PHOTOGRAPHIC PROCESSES AND PRODUCTS POLAROID CORPORATION (US) 1989-03-22 EP disclosed
EP-0227823-A1 COLOR TRANSFER PHOTOGRAPHIC PROCESSES AND PRODUCTS. POLAROID CORP (US) 1987-07-08 EP disclosed
WO-1987000307-A1 COLOR TRANSFER PHOTOGRAPHIC PROCESSES AND PRODUCTS POLAROID CORPORATION (US) 1987-01-15 WO disclosed
US-4615966-A Color transfer photographic processes and products with indole phthalein filter dyes POLAROID CORPORATION (US) 1986-10-07 US 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 NOTUM 119/4885IDO1 837/4885HSD17B3 194/4885
US-20240199607-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885IDO1 2313/4885HSD17B3 1286/4885
US-11866428-B2 Bicyclic heterocycle compounds and their uses in therapy H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 NOTUM 3239/4885IDO1 2313/4885HSD17B3 1286/4885
US-20080058525-A1 NOVEL DYE COMPLEXES AND USE THEREOF IN IMAGING MEMBERS AND METHODS DBI, HSPE1, ABCB7 NOTUM 2148/4885IDO1 991/4885HSD17B3 1621/4885

“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.