SCHEMBL6445312

SCHEMBL6445312

[O]C(=O)CN1CCSCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.39
KDM4E B2RXH2 4/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.36
GAA P10253 2/20 0.35
PKM P14618 1/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5272886 0.81 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL4768884 0.80 HSD17B10 (0.52) ALDH1A1KDM4ELMNAHTTGAA
Hydrochloric Acid SCHEMBL1371867 0.78 HSD17B10 (0.50) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL5155653 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL2106140 0.78 KDM4E (0.56) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL8267015 0.78 LMNA (0.40) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL6152917 0.76
SCHEMBL13671235 0.75 LMNA (0.38) ALDH1A1KDM4ELMNAHTTGAA
SCHEMBL2233483 0.74 GAA (0.58) ALDH1A1KDM4EHTTGAAMAPT
SCHEMBL28236224 0.74 GAA (0.38) ALDH1A1KDM4ELMNAGAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US claimed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP claimed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5610315-A Process for the preparation of 6,7-diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-03-11 US disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
US-5484954-A HEATING, DEACYLATING NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1996-01-16 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
US-5302730-A Acylation with acetic acid at positions one and seven; eliminating acyl group at position seven by solvolysis NIPPON KAYAKU KK (JP) 1994-04-12 US disclosed
EP-0297496-B1 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KK (JP) 1994-01-19 EP disclosed
US-5245052-A PROCESS FOR PRODUCING 6-ACYL-7-DEACETYLFORSKOLIN DERIVATIVES NIPPON KAYAKU CO. LTD. (JP) 1993-09-14 US disclosed
EP-0469428-A1 Novel process for producing 6-acyl-7-deacetylforskolin derivatives HOECHST JAPAN LIMITED (JP) 1992-02-05 EP disclosed
EP-0297496-A2 Novel process for the preparation of 6,7-Diacyl-7-deacetylforskolin derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1989-01-04 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885KDM4E 3396/4885LMNA 1225/4885

“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.