SCHEMBL19629030

SCHEMBL19629030

c1ccc2oc(-c3ccc4ncsc4c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
NPC1 O15118 9/20 0.61
KDM4E B2RXH2 9/20 0.61
HPGD P15428 9/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
RAB9A P51151 7/20 0.61
MAPT P10636 4/20 0.61
TP53 P04637 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
GAA P10253 3/20 0.61
STAT1 P42224 2/20 0.61
LMNA P02545 1/20 0.61
GFER P55789 1/20 0.61
APP P05067 1/20 0.60
HSD17B10 Q99714 6/20 0.53
HCRTR1 O43613 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL18941934 0.89 ALDH1A1 (0.54) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL21984002 0.84 RAB9A (0.51) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL21984499 0.83 RAB9A (0.50) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL18389311 0.82 KDM4E (0.54) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL19164514 0.81 KDM4E (0.53) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL447980 0.81 APP (0.55) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL26189371 0.79 RIPK1 (0.53) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL21466951 0.78 ALDH1A1 (0.59) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL3493900 0.77 APP (0.52) ALDH1A1NPC1KDM4EHPGDSMN1; SMN2
SCHEMBL2174585 0.76 NPC1 (0.66) ALDH1A1NPC1KDM4EHPGDSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-24 US disclosed
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles SAMUMED, LLC (US) 2019-10-08 US disclosed
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
US-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2018-07-12 US disclosed
US-9974865-B2 Antibody drug conjugates (ADC) that bind to FLT3 proteins AGENSYS, INC. (US) 2018-05-22 US disclosed
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 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 (7 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-20180193244-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA ALDH1A1 985/4885NPC1 4073/4885KDM4E 656/4885
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA ALDH1A1 985/4885NPC1 4073/4885KDM4E 656/4885
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 ALDH1A1 308/4885NPC1 217/4885KDM4E 2654/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER ALDH1A1 1485/4885NPC1 3947/4885KDM4E 417/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 ALDH1A1 308/4885NPC1 217/4885KDM4E 2654/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 ALDH1A1 1093/4885NPC1 1450/4885KDM4E 3614/4885
US-10434052-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles GLA, DGKA, DGKG ALDH1A1 1129/4885NPC1 4077/4885KDM4E 527/4885

“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.