SCHEMBL8387495

SCHEMBL8387495

CC(C)NC(=S)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.46
NOS1 P29475 2/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8387078 0.86 NOS3 (0.44) NOS3NOS1MAPT
SCHEMBL8381630 0.86 NOS1 (0.46) NOS3NOS1KDM4EALDH1A1HTR1D
SCHEMBL8708647 0.85 NOS3 (0.51) NOS3NOS1ALDH1A1HTR1DHTR1B
Hydrochloric Acid SCHEMBL8709283 0.85 NOS3 (0.52) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8386633 0.84 NOS3 (0.41) NOS3NOS1ALDH1A1HTR1DHTR1B
SCHEMBL8382171 0.84 NOS3 (0.44) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8383543 0.83 NOS3 (0.45) NOS3NOS1KDM4EALDH1A1MAPT
SCHEMBL8386958 0.82 NOS3 (0.42) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8382722 0.82 NOS3 (0.41) NOS3NOS1HTR1DHTR1BMAPT
SCHEMBL8381681 0.82 NOS3 (0.47) NOS3NOS1HTR1DHTR1BMAPT

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 4 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
US-5874427-A MIGRAINE ELI LILLY AND COMPANY (US) 1999-02-23 US 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 NOS3 1678/4885NOS1 1339/4885KDM4E 3551/4885

“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.