SCHEMBL5117031

SCHEMBL5117031

COC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)c(C)c1NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 5/20 0.45
SETD7 Q8WTS6 3/20 0.45
MAPT P10636 6/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 3/20 0.43
SLC6A4 P31645 1/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 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
SCHEMBL5121549 0.83 GRM6 (0.49) KMT2AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL924085 0.73 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL614077 0.70 ALDH1A1 (0.37) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL5949858 0.69 SLC6A4 (0.54) KMT2AALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL14267699 0.68 KMT2A (0.69) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
Hydrochloric Acid SCHEMBL7143736 0.67 SLC6A4 (0.44) KMT2AALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL306012 0.67 MEN1 (0.46) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL29441715 0.67 MEN1 (0.65) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL2878741 0.67 MEN1 (0.65) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL29441683 0.66 PLG (0.59) KMT2AALDH1A1MEN1MAPTRAB9A

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-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR KMT2A 2570/4885ALDH1A1 1266/4885SMN1; SMN2 4322/4885

“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.