SCHEMBL8720781

SCHEMBL8720781

O=C(Nc1ccc2scc(C3=CCN4CCCCC4CC3)c2c1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
CASP1 P29466 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP7 P55210 1/20 0.45
MCL1 Q07820 1/20 0.45
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 8/20 0.42
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
HPGD P15428 4/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL8382279 0.93 RAB9A (0.45) MAPTKDM4ECASP1HSD17B10CASP7
SCHEMBL8720711 0.86 TP53 (0.44) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL30909040 0.85 MAPT (0.46) MAPTKDM4ECASP1HSD17B10CASP7
SCHEMBL8721209 0.85 MAPT (0.46) MAPTKDM4ECASP1HSD17B10CASP7
SCHEMBL8721911 0.85 KMT2A (0.43) MAPTKDM4EHSD17B10RAB9AALDH1A1
SCHEMBL8723604 0.84 TDP1 (0.39) MAPTRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8706037 0.84 ALDH1A1 (0.42) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL8725926 0.84 TDP1 (0.41) MAPTRAB9AALDH1A1NPC1LMNA
SCHEMBL8724021 0.83 HTR1F (0.40) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL8720679 0.83 MAPK14 (0.38) MAPTRAB9ANPC1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 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-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D MAPT 3544/4885KDM4E 3551/4885CASP1 1514/4885

“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.