SCHEMBL8386497

SCHEMBL8386497

CCC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc2[nH]cc(C3=CCN4CCCCC4C3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
MAPT P10636 6/20 0.36
TP53 P04637 1/20 0.36
HTR6 P50406 4/20 0.35
HTR1D P28221 3/20 0.35
HTR1B P28222 3/20 0.35
HTR1A P08908 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1F P30939 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 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
SCHEMBL8382026 0.84 HTR6 (0.34) MAPTHTR6LMNAPOLB
SCHEMBL7483589 0.82 KDM4E (0.50) NOS3NOS1MAPTTP53HTR6
SCHEMBL7482247 0.81 NOS3 (0.46) NOS3NOS1MAPTTP53HTR6
SCHEMBL8383718 0.81 NOS3 (0.43) NOS3NOS1MAPTLMNAPOLB
SCHEMBL30909307 0.81 NOS3 (0.43) NOS3NOS1MAPTLMNAPOLB
SCHEMBL8387372 0.80 NOS3 (0.44) NOS3NOS1MAPTLMNAMEN1
SCHEMBL8386628 0.79 NOS3 (0.40) NOS3NOS1MAPTTP53HTR1D
SCHEMBL8386372 0.79 NOS3 (0.44) NOS3NOS1HTR1DHTR1BHTR1A
SCHEMBL8386551 0.78 NOS3 (0.54) NOS3NOS1MAPTHTR1DHTR1B
SCHEMBL8381730 0.78 TDP1 (0.46) NOS3NOS1MEN1KMT2A

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
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 1339/4885MAPT 3544/4885

“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.