SCHEMBL11554100

SCHEMBL11554100

Nc1nnc(C2CCC2)s1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
HPGD P15428 3/20 0.46
GFER P55789 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
FBP1 P09467 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL2535265 0.95 SMN1; SMN2 (0.47) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL11669798 0.93 GAA (0.46) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL295296 0.93 GAA (0.46) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL15743173 0.91 ALDH1A1 (0.43) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL15710144 0.91 ALDH1A1 (0.43) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL15709843 0.91 ALDH1A1 (0.43) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL15709601 0.91 ALDH1A1 (0.43) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL16879368 0.91 SMN1; SMN2 (0.41) ALDH1A1HPGDGFERSMN1; SMN2POLB
SCHEMBL295263 0.91
SCHEMBL11681349 0.83 ALDH1A1 (0.38) ALDH1A1HPGDGFERSMN1; SMN2POLB

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
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
CN-104903320-B Nitrogen-containing heterocycle compound or its salt 富士胶片株式会社 2018-11-13 CN disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
EP-2944637-A1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM Corporation (JP) 2015-11-18 EP disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed
US-4033753-A HERICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-07-05 US disclosed
US-4012223-A Thiadiazolylimidazolidinones herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-03-15 US disclosed
US-4007031-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-02-08 US disclosed
US-4004912-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-01-25 US disclosed
US-3990882-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-11-09 US disclosed
US-3951640-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-04-20 US disclosed
US-3944409-A Method of increasing the yield of plants having storage organs by treatment with thiadiazolylimidazolines VELSICOL CHEMICAL CORPORATION (US) 1976-03-16 US disclosed
US-3933839-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-01-20 US disclosed
US-3931209-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-01-06 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 (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-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN ALDH1A1 1595/4885HPGD 2266/4885GFER 3640/4885

“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.