SCHEMBL6959602

SCHEMBL6959602

CCN(CC)C1Cc2c([nH]c3ccc(C(=O)NC4CCC4)cc23)C(OC(=O)C(=O)OC2CC(N(CC)CC)Cc3c2[nH]c2ccc(C(=O)NC4CCC4)cc32)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
TLR7 Q9NYK1 3/20 0.43
TLR8 Q9NR97 1/20 0.43
NPC1 O15118 2/20 0.41
TLR9 Q9NR96 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ADORA1 P30542 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
Oxalic Acid SCHEMBL6959601 0.78 KMT2A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8591705 0.73 RAB9A (0.51) RAB9ATLR7TLR8NPC1TLR9
SCHEMBL8592043 0.72 RAB9A (0.48) RAB9ATLR7TLR8NPC1TLR9
SCHEMBL6965234 0.71 MAPKAPK2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
Oxalic Acid SCHEMBL8595110 0.70 RAB9A (0.46) RAB9ATLR7TLR8NPC1TLR9
SCHEMBL6958366 0.69 HTR1F (0.63) RAB9ATLR7TLR8NPC1TLR9
Water SCHEMBL7653786 0.69 HTR1F (0.65) RAB9ANPC1MAPT
SCHEMBL27303286 0.69 MAPT (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8561745 0.69 HTR1A (0.36) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL8482841 0.67 HTR1F (0.40) SMN1; SMN2MAPTGAAHTTNPSR1

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
EP-0882726-B1 Carbazol-carboxamides as 5-HT1F agonists LILLY CO ELI (US) 2003-05-21 EP disclosed
US-6221884-B1 Carboxamides useful as 5-HT1F agonists ELI LILLY AND COMPANY 2001-04-24 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-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 RAB9A 2333/4885TLR7 1193/4885TLR8 1527/4885

“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.