SCHEMBL6947543

SCHEMBL6947543

O=c1ccn2c(n1)SCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NSD2 O96028 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL396167 0.67
SCHEMBL15485795 0.66 MAPT (0.46) MAPTMEN1KMT2ATP53GLA
SCHEMBL925818 0.64 MAPT (0.47) MAPTMEN1KMT2ATP53GLA
SCHEMBL8339941 0.64
SCHEMBL9742712 0.63 MAPT (0.72) MAPTMEN1KMT2ATP53GLA
SCHEMBL9742689 0.62 MAPT (1.00) MAPTMEN1KMT2ATP53GLA
SCHEMBL3458525 0.62 NPC1 (0.51) MAPTMEN1KMT2ATP53GLA
SCHEMBL7181038 0.60 MAPT (0.49) MAPTMEN1KMT2ATP53GLA
SCHEMBL1365426 0.60 MAPT (0.47) MAPTMEN1KMT2ATP53GLA
SCHEMBL13248348 0.60 MAPT (0.49) MAPTMEN1KMT2ATP53GLA

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-20040171652-A1 Antiviral and spermicidal contraceptives; 2-thiourea pyridinyl derivative containing compositions PARKER HUGHES INSTITUTE 2004-09-02 US disclosed
US-6774139-B1 CONTRACEPTIVES PARKER HUGHES INSTITUTE 2004-08-10 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-20040171652-A1 Antiviral and spermicidal contraceptives; 2-thiourea pyridinyl derivative containing compositions ZP1, NASP, SAMHD1 MAPT 4039/4885MEN1 3876/4885KMT2A 1632/4885

“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.