SCHEMBL4872049

SCHEMBL4872049

c1ccc(SN2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C19 P33261 5/20 0.40
KCNH2 Q12809 5/20 0.40
CYP2C9 P11712 4/20 0.40
KCNA5 P22460 4/20 0.40
KCNE1 P15382 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 4/20 0.38
MGLL Q99685 2/20 0.38
CYP2B6 P20813 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
TSHR P16473 1/20 0.37

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 SCHEMBL29995407 0.98 ALDH1A1 (0.52) ALDH1A1MAPTHSD17B10CYP1A2CYP3A4
SCHEMBL2058891 0.98 ALDH1A1 (0.50) ALDH1A1MAPTHSD17B10CYP1A2CYP3A4
SCHEMBL29174494 0.82 CYP1A2 (0.44) ALDH1A1MAPTHSD17B10CYP1A2CYP3A4
SCHEMBL19903237 0.77 HPGD (0.38) ALDH1A1MAPTHSD17B10SMN1; SMN2NPC1
SCHEMBL446306 0.77 MGLL (0.35) ALDH1A1MAPTHSD17B10MGLL
SCHEMBL24124260 0.77 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10CYP3A4NPC1
SCHEMBL11766841 0.77 HTR1A (0.49) SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24894074 0.77 KMT2A (0.38) ALDH1A1MAPTHSD17B10SMN1; SMN2NPC1
SCHEMBL9579555 0.77 MAPT (0.49) ALDH1A1MAPTHSD17B10CYP1A2CYP2C19
SCHEMBL6937659 0.77 MAPT (0.43) ALDH1A1MAPTHSD17B10CHRNA7SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387848-B Synthetic process for preparing sulfonamide compound 上海交通大学 2022-11-22 CN disclosed
CN-113387848-A Synthetic process for preparing sulfonamide compound 上海交通大学 2021-09-14 CN disclosed
WO-2021083879-A1 BROMODOMAIN INHIBITORS RHEINISCH-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2021-05-06 WO disclosed
US-7408067-B2 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK + CO., INC. (US) 2008-08-05 US disclosed
US-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-03-31 US disclosed
EP-1467986-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-10-20 EP disclosed
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-12 US disclosed
EP-1340780-A1 METAL CATALYST FOR RING-OPENING POLYMERIZATION OF HETEROCYCLIC COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-03 EP disclosed
WO-2003062224-A1 AZA-CYCLIC COMPOUNDS AS MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
US-4642348-A ANTIARRHYTHMIA AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-02-10 US disclosed
US-4593102-A N-[(amino)alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulfur linked substitution in the 2, 3 or 4-position A. H. ROBINS COMPANY, INC. (US) 1986-06-03 US disclosed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 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-20050070520-A1 Aza-cyclic compounds as modulators of acetylcholine receptors CHRNG, CHRNA4, CHRNB4 ALDH1A1 1088/4885MAPT 3850/4885HSD17B10 2835/4885
US-20040030093-A1 Metal catalyst for ring-opening polymerization of heterocyclic compound MAX, PCNA, POLM ALDH1A1 2856/4885MAPT 2518/4885HSD17B10 1548/4885

“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.