SCHEMBL311608

SCHEMBL311608

O=C(CBr)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 3/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 2/20 0.46
FKBP1A P62942 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45

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
SCHEMBL30070239 1.00 L3MBTL1 (0.59) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL18893929 0.86 HSD17B10 (0.60) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL11763299 0.83 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27088455 0.82 HSD17B10 (0.71) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL8149192 0.82 ALDH1A1 (0.62) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL27155224 0.82 ALDH1A1 (0.62) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL19259632 0.81 KDM4E (0.51) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL3753324 0.80 L3MBTL1 (0.64) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL423999 0.78 L3MBTL1 (0.61) L3MBTL1TSHRALOX15HSD17B10SMN1; SMN2
SCHEMBL2262931 0.78 L3MBTL1 (0.61) L3MBTL1TSHRALOX15HSD17B10SMN1; 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 306 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
CN-113801163-B Organic arsenic-based II-type pyruvate kinase inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2025-03-04 CN disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
EP-4434982-A1 (S)-2-(2-METHYLAZETIDIN-1-YL)PYRIMIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2024-09-25 EP disclosed
US-12091425-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2024-09-17 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed
EP-4329762-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF Cornell University (US) 2024-03-06 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO disclosed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP disclosed
WO-1994002461-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 EP disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed
US-4728647-A Amides derived from quinoline, and anxiolytic compositions containing them RHONE-POULENC SANTE (FR) 1988-03-01 US disclosed
US-4530925-A Aminocyclopentane esters and pharmaceutical formulations GLAXO GROUP LIMITED (GB) 1985-07-23 US disclosed
EP-0127930-A2 Aminocyclopentane esters and their preparation and pharmaceutical formulation GLAXO GROUP LIMITED (GB) 1984-12-12 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 L3MBTL1 4537/4885TSHR 1060/4885ALOX15 2640/4885
US-12091425-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 L3MBTL1 691/4885TSHR 4714/4885ALOX15 3088/4885

“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.