SCHEMBL354708

SCHEMBL354708

O/N=C1\CCc2cc(F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRAF P15056 5/20 0.43
MAPK3 P27361 4/20 0.43
MAPK1 P28482 4/20 0.43
CYP19A1 P11511 7/20 0.41
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 6/20 0.41
SRD5A1 P18405 2/20 0.41

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
SCHEMBL354709 1.00 HTT (0.62) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL6932025 1.00 HTT (0.62) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL22043642 0.89 L3MBTL1 (0.53) HTTLMNAHPGDL3MBTL1CYP19A1
SCHEMBL31552701 0.89 L3MBTL1 (0.53) HTTLMNAHPGDL3MBTL1CYP19A1
SCHEMBL25295761 0.85 HTT (0.49) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL18762883 0.85 HTT (0.49) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL23678473 0.81 CYP11B2 (0.41) HTTCYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL17988347 0.78 HTT (0.70) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL12609506 0.77 HTT (0.62) HTTLMNAHSD17B10HPGDL3MBTL1
SCHEMBL4344367 0.77 HTT (0.62) HTTLMNAHSD17B10HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
WO-2017063966-A1 SUBSTITUTED 2-(1H-PYRAZOL-1-YL)-BENZOTHIAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-20 WO disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2006-08-17 US disclosed
EP-0538134-B1 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMA (IL) 1997-03-12 EP disclosed
US-5486541-A FOR TREATING PARKINSON*S DISEASE, MEMORY DISORDERS, ALZHEIMER*S DISEASE, DEPRESSION OR HYPERACTIVE SYNDROME TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-01-23 US disclosed
EP-0538134-A2 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1993-04-21 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 (8 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-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 HTT 3804/4885LMNA 3307/4885HSD17B10 653/4885
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 HTT 22/4885LMNA 478/4885HSD17B10 1615/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 HTT 2315/4885LMNA 2387/4885HSD17B10 501/4885
US-20240067614-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, CXCR2 HTT 3726/4885LMNA 3273/4885HSD17B10 633/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 10/4885LMNA 71/4885HSD17B10 1008/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 HTT 15/4885LMNA 89/4885HSD17B10 928/4885
US-20060183800-A1 Methods and fluorinated compositions for treating amyloid-related diseases APP, PSEN1, TTR HTT 16/4885LMNA 50/4885HSD17B10 1558/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HTT 2315/4885LMNA 2387/4885HSD17B10 501/4885

“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.