SCHEMBL4506044

SCHEMBL4506044

Nc1c2c(nc3ccccc13)CCS2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.54
▸ BCHE P06276 6/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ TSHR P16473 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ KCNH2 Q12809 3/20 0.54
▸ CYP1A2 P05177 3/20 0.54
▸ CHRM2 P08172 2/20 0.54
▸ ADRA2A P08913 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ CHRM1 P11229 2/20 0.54
▸ SLC6A2 P23975 2/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CACNB4 O00305 1/20 0.54
▸ CACNA1A O00555 1/20 0.54
▸ SLC22A2 O15244 1/20 0.54
▸ SLC22A1 O15245 1/20 0.54
▸ ABCC4 O15439 1/20 0.54

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
SCHEMBL9209834 0.90 ACHE (0.59) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9736603 0.89 ACHE (0.62) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9738344 0.77 ACHE (0.69) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL10653208 0.76 ACHE (0.58) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9208760 0.76 ACHE (0.57) ACHEBCHEGRIN1GRIN2ALMNA
SCHEMBL4502500 0.76 ACHE (0.62) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9597376 0.73 BCHE (0.51) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9597374 0.73 BCHE (0.51) ACHEBCHEALDH1A1HSD17B10TSHR
SCHEMBL9171253 0.73 KMT2A (0.59) ACHEBCHEALDH1A1KDM4ECYP1A2
SCHEMBL10653266 0.73 ACHE (0.51) ACHEBCHEALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311303-B1 4-aminopyridine derivatives PFIZER (US) 1995-05-24 — — EP claimed
EP-0287977-B1 Fused heteroalkylene quinolinamines, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-06-29 — — EP claimed
US-5112830-A Cognition Activators HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1992-05-12 — — US claimed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO claimed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO claimed
EP-0287977-A2 Fused heteroalkylene quinolinamines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 — — EP claimed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 — — US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 — — US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 — — EP disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 — — US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 — — US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 — — EP disclosed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 — — EP disclosed
US-5002955-A Pyrroloquinolines for enhancement of memory HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-03-26 — — US disclosed
US-4843079-A ALZHEIMER*S DISEASE HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1989-06-27 — — US disclosed
EP-0311303-A2 4-aminopyridine derivatives PFIZER INC. (US) 1989-04-12 — — EP disclosed
WO-1989002740-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
WO-1989002739-A1 4-AMINOPYRIDINE DERIVATIVES PFIZER INC. (US) 1989-04-06 — — WO disclosed
EP-0287977-A2 Fused heteroalkylene quinolinamines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-10-26 — — EP disclosed
EP-0268871-A1 Quinoline derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-06-01 — — 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 (3 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885ALDH1A1 346/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885BCHE 2/4885ALDH1A1 1143/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885BCHE 2/4885ALDH1A1 1245/4885

“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.

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