SCHEMBL6238900

SCHEMBL6238900

NC(=O)c1ccc2cccc(-c3cnc(N)o3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL6309424 0.79 GRM4 (0.35) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL4828417 0.78 PLAU (0.39) NPC1RAB9APLAUF2PLG
SCHEMBL6308574 0.77 ALDH1A1 (0.47) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL7064761 0.71 PLAU (0.71) KDM4EALDH1A1GAAHPGDMAPT
SCHEMBL7916634 0.69 CYP17A1 (0.45) NPC1RAB9AMAPK1PARP1MKNK1
SCHEMBL28124449 0.68 KDM4E (0.62) SMN1; SMN2KDM4EALDH1A1GAAPLAU
SCHEMBL1004717 0.67 ALDH1A1 (0.55) KDM4EALDH1A1TP53GLAHPGD
SCHEMBL6436253 0.65 CSNK2A1 (0.54) SMN1; SMN2PLAUMKNK1MKNK2NNMT
SCHEMBL30811869 0.65 ALDH1A1 (0.56) NPC1ALDH1A1TP53HPGDMAPT
SCHEMBL2779319 0.65 ALDH1A1 (0.56) NPC1ALDH1A1TP53HPGDMAPT

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-20050176791-A1 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2005-08-11 US disclosed
WO-2005016338-A1 USE OF 5-HT2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONGESTIVE HEART FAILURE PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-24 WO 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-20050176791-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR3B SMN1; SMN2 1413/4885KDM4E 3337/4885NPC1 2500/4885

“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.