SCHEMBL20908718

SCHEMBL20908718

Sc1ccc(N2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ MAPT P10636 5/20 0.58
▸ L3MBTL1 Q9Y468 5/20 0.58
▸ ALOX15 P16050 4/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TDP1 Q9NUW8 3/20 0.52

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
SCHEMBL31299594 0.98 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL21450824 0.97 ALDH1A1 (0.54) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL6887590 0.87 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL2174173 0.84 ALDH1A1 (0.67) ALDH1A1MAPTL3MBTL1ALOX15NPC1
Hydrochloric Acid SCHEMBL29475563 0.81 ALDH1A1 (0.71) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL31013493 0.79 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL13456026 0.78 LMNA (0.58) ALDH1A1MAPTALOX15NPC1RAB9A
SCHEMBL28356161 0.78 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1ALOX15NPC1
SCHEMBL23260236 0.76 ADRB1 (0.63) ALDH1A1KDM4EHSD17B10USP2LMNA
SCHEMBL31299605 0.76 LMNA (0.56) ALDH1A1MAPTALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191533-A1 THIOBENZIMIDAZOLE DERIVATIVE PREPARATION METHOD AND NOVEL INTERMEDIATE THEREFOR 고려대학교 산학협력단 2023-10-05 — — WO disclosed
US-11332476-B2 Fms-like tyrosine kinase inhibitors 3SM BIOTRON INC. (TW) 2022-05-17 — — US disclosed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 — — EP disclosed
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS Sagabio Co., Ltd. (TW) 2020-04-30 — — US disclosed
WO-2019191896-A1 FMS-LIKE TYROSINE KINASE INHIBITORS 3SM BIOTRON INC. (CN) 2019-10-10 — — WO disclosed
US-20190112316-A1 THIAZOLO[3,2-A] PYRIMIDINONE AND OTHER HETEROBICYCLIC PYRIMIDINONE COMPOUNDS FOR USE IN MEDICAL THERAPY LYSOSOMAL THERAPEUTICS INC (US) 2019-04-18 — — 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 (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-20190112316-A1 THIAZOLO[3,2-A] PYRIMIDINONE AND OTHER HETEROBICYCLIC PYRIMIDINONE COMPOUNDS FOR USE IN MEDICAL THERAPY PARK7, GAA, TYMP ALDH1A1 1351/4885MAPT 116/4885L3MBTL1 2646/4885
US-11332476-B2 Fms-like tyrosine kinase inhibitors FLT3, FLT4, FLT1 ALDH1A1 3008/4885MAPT 4573/4885L3MBTL1 2114/4885
US-20200131194-A1 FMS-LIKE TYROSINE KINASE INHIBITORS FLT3, FLT4, FLT1 ALDH1A1 3008/4885MAPT 4573/4885L3MBTL1 2114/4885

“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.

Send feedback