SCHEMBL5453892

SCHEMBL5453892

CCNC(=S)Nc1ccc(F)cc1F

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
ALDH1A1 P00352 6/20 0.56
GAA P10253 4/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTT P42858 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
SCHEMBL6067808 0.83 LMNA (0.61) LMNAALDH1A1GAAHPGDALOX12
SCHEMBL6099387 0.82 ALDH1A1 (0.64) LMNAALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL5718500 0.81 LMNA (0.58) LMNAALDH1A1GAAHPGDALOX12
SCHEMBL11422683 0.80 PKM (0.66) LMNAGAASMN1; SMN2PKMKDM4E
SCHEMBL5450015 0.79 ALDH1A1 (0.73) LMNAALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10787020 0.78 KMT2A (0.66) LMNAALDH1A1GAAHPGDALOX12
SCHEMBL28563284 0.77 LMNA (0.58) LMNAALDH1A1GAAHPGDALOX12
SCHEMBL24356073 0.77 HTT (0.56) LMNAALDH1A1GAAHPGDALOX12
SCHEMBL5453503 0.76 HPGD (0.61) LMNAALDH1A1HPGDALOX12SMN1; SMN2
SCHEMBL6096417 0.75 GAA (0.62) LMNAALDH1A1GAASMN1; SMN2KDM4E

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-20220402881-A1 SMALL MOLECULE PROSTAGLADIN TRANSPORT INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2022-12-22 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 LMNA 2850/4885ALDH1A1 875/4885GAA 1226/4885

“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.