SCHEMBL6506122

SCHEMBL6506122

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
AGTR1 P30556 4/20 0.41
MAPT P10636 7/20 0.36
HTT P42858 5/20 0.36
NPSR1 Q6W5P4 5/20 0.36
NPC1 O15118 2/20 0.36
MITF O75030 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
VCAM1 P19320 1/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 4/20 0.34
MAPK1 P28482 1/20 0.34
MC4R P32245 1/20 0.34
MDM2 Q00987 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 3/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6503874 0.89 KMT2A (0.36) KMT2AAGTR1ALDH1A1HPGD
SCHEMBL6506231 0.82 KMT2A (0.37) KMT2AMAPTHTTRAB9AALDH1A1
SCHEMBL6510626 0.81 TDP1 (0.34) KMT2ASMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL6505095 0.81 KDM4E (0.32) MAPTALDH1A1L3MBTL1
SCHEMBL6501528 0.80 L3MBTL1 (0.36) MAPTNPSR1NPC1RAB9ALMNA
SCHEMBL6499622 0.80 HPGD (0.35) KMT2AMAPTHTTNPSR1NPC1
SCHEMBL6499218 0.79 LMNA (0.35) KMT2ANPSR1NPC1SMN1; SMN2RAB9A
SCHEMBL6501686 0.79 NPSR1 (0.39) KMT2AMAPTHTTNPSR1NPC1
Trifluoroacetic Acid SCHEMBL6504699 0.79
SCHEMBL6508566 0.78 ALDH1A1 (0.38) KMT2AMAPTSMN1; SMN2ALDH1A1LMNA

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 KMT2A 3213/4885AGTR1 343/4885MAPT 3607/4885

“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.