SCHEMBL6717831

SCHEMBL6717831

Nc1nc2c(S)c[c]cc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PDPK1 O15530 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
NSD1 Q96L73 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.32
SCN4A P35499 1/20 0.32
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
AXL P30530 1/20 0.31
GFER P55789 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Water SCHEMBL11315262 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL4364308 0.71 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL6118333 0.65 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL6298450 0.65 HSD17B10 (0.45) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL406704 0.63 RAB9A (0.47) ALDH1A1SMN1; SMN2LMNAHSD17B10CYP3A4
SCHEMBL17281511 0.60 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL1913695 0.59 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL7775817 0.59 NSD1 (0.53) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL8383088 0.59 NSD1 (0.68) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1
SCHEMBL21091722 0.57 CYP3A4 (0.57) ALDH1A1SMN1; SMN2LMNAHSD17B10PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 US claimed
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2003-11-27 US claimed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP claimed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP claimed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO claimed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO claimed
US-20230310358-A1 Compositions And Methods For Treating Autism YAMO PHARMACEUTICALS LLC (US) 2023-10-05 US disclosed
CN-114901272-A Sustained release preparation 霍夫曼技术有限责任公司 2022-08-12 CN disclosed
US-20220211650-A1 SUSTAINED RELEASE FORMULATIONS HOFFMAN TECHNOLOGIES LLC 2022-07-07 US disclosed
EP-3955910-A1 SUSTAINED RELEASE FORMULATIONS Hoffman Technologies LLC. (US) 2022-02-23 EP disclosed
US-20210338619-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC 2021-11-04 US disclosed
EP-3823593-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
EP-3823626-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM Yamo Pharmaceuticals LLC (US) 2021-05-26 EP disclosed
EP-0484437-A4 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION SEARLE & CO (US) 1994-06-01 EP disclosed
EP-0484437-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. Searle & Co. (US) 1992-05-13 EP disclosed
WO-1992001667-A1 RENAL-SELECTIVE PRODRUGS FOR CONTROL OF RENAL SYMPATHETIC NERVE ACTIVITY IN THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-02-06 WO disclosed
WO-1991001724-A1 RENAL-SELECTIVE PRODRUGS FOR THE TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1991-02-21 WO disclosed
US-4170654-A Antihypertensive compositions containing N-heterocyclicalanines and α- MERCK & CO., INC. (US) 1979-10-09 US disclosed
US-4160835-A Antihypertensive compositions containing an arylsubstituted alanine and a phenyl hydrazinopropionic acid MERCK & CO., INC. (US) 1979-07-10 US disclosed
US-4156734-A Antihypertensive compositions containing an aryl-substituted alanine azo and an arylhydrazino-propionic acid MERCK & CO., INC. (US) 1979-05-29 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 (5 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-20230310358-A1 Compositions And Methods For Treating Autism MECP2, AADAT, CHAT ALDH1A1 878/4885SMN1; SMN2 1292/4885LMNA 3609/4885
US-20220211650-A1 SUSTAINED RELEASE FORMULATIONS TH, PAH, COMT ALDH1A1 307/4885SMN1; SMN2 1428/4885LMNA 4718/4885
US-20210338619-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM MECP2, AADAT, CHAT ALDH1A1 876/4885SMN1; SMN2 1214/4885LMNA 3774/4885
US-20030220521-A1 Renal-selective prodrugs for control of renal sympathetic nerve activity in the treatment of hypertension GLS, APEH, GGH ALDH1A1 100/4885SMN1; SMN2 1953/4885LMNA 3547/4885
US-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH ALDH1A1 114/4885SMN1; SMN2 793/4885LMNA 3420/4885

“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.