SCHEMBL24769827

SCHEMBL24769827

COc1cccc(NC(=S)NC(=O)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.74
NPC1 O15118 6/20 0.74
NLRP3 Q96P20 1/20 0.74
ALDH1A1 P00352 7/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
ALOX12 P18054 5/20 0.71
HPGD P15428 1/20 0.71
KCNK3 O14649 1/20 0.67
KCNK9 Q9NPC2 1/20 0.67
SMO Q99835 1/20 0.67
EPHX1 P07099 2/20 0.66
LMNA P02545 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 1/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 1/20 0.65
CASP3 P42574 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.65
SENP8 Q96LD8 1/20 0.65

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
SCHEMBL1337488 0.92 KCNK9 (0.81) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL14808084 0.90 ALDH1A1 (0.70) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL5713551 0.89 NPC1 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL1337468 0.88 KCNK9 (0.80) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL1336791 0.88 KCNK3 (0.73) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL11167290 0.88 EPHX1 (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL2351338 0.87 RAB9A (0.65) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL3059348 0.87 RAB9A (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2ALOX12
SCHEMBL12129902 0.87 MEN1 (0.81) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2
SCHEMBL1337469 0.87 TRPV1 (0.72) RAB9ANPC1NLRP3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS PTGER1, PTGIS, PTGIR RAB9A 1059/4885NPC1 174/4885NLRP3 1748/4885

“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.