SCHEMBL24769833

SCHEMBL24769833

COc1ccccc1NC(=N)SC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.49

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
SCHEMBL11173049 0.87 POLB (0.43) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1387756 0.83 ALDH1A1 (0.52) POLBALDH1A1HPGDHTTSMN1; SMN2
Iodide SCHEMBL11445679 0.82 ALDH1A1 (0.42) POLBALDH1A1HPGDSMN1; SMN2TSHR
Bromide SCHEMBL11804203 0.81 ALDH1A1 (0.51) POLBALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2286441 0.81 ALDH1A1 (0.58) POLBALDH1A1HPGDHTTSMN1; SMN2
Iodide SCHEMBL11170910 0.80 GAA (0.52) POLBALDH1A1SMN1; SMN2TSHRPKM
Iodide SCHEMBL11215603 0.79 TDP1 (0.41) POLBALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL1185416 0.78 ALDH1A1 (0.60) POLBALDH1A1HPGDHTTSMN1; SMN2
Iodide SCHEMBL11166944 0.78 HPGD (0.42) POLBALDH1A1HPGDSMN1; SMN2PKM
Iodide SCHEMBL11158727 0.77 CYP19A1 (0.46) POLBALDH1A1PKMLMNAMAPT

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 POLB 4612/4885ALDH1A1 875/4885HPGD 58/4885

“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.