SCHEMBL29580717

SCHEMBL29580717

Nc1ccccc1Nc1ccc2ncoc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
SNCA P37840 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK14 Q16539 8/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL24155698 0.80 NPC1 (0.66) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL24587106 0.79 NPC1 (0.48) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL21463824 0.77 MAPK1 (0.52) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL30615324 0.77 MAPK1 (0.52) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL29581611 0.75 MAPK14 (0.56) SMN1; SMN2RAB9ANPC1MAPTKDM4E
SCHEMBL29118425 0.72 NPC1 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL29118421 0.72 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MAPTHPGD
SCHEMBL9847731 0.72 MAPK14 (0.67) SMN1; SMN2NPC1MAPTKDM4ETP53
SCHEMBL24156151 0.72 MAPK14 (0.48) SMN1; SMN2RAB9ANPC1MAPK14TGFBR1
SCHEMBL116288 0.71 DYRK1A (0.58) SMN1; SMN2RAB9ANPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 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-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH SMN1; SMN2 4287/4885RAB9A 2868/4885NPC1 2391/4885

“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.