SCHEMBL5579321

SCHEMBL5579321

N#Cc1nc2ccccc2cc1Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 6/20 0.43
GFER P55789 1/20 0.41
NGLY1 Q96IV0 1/20 0.41
TSHR P16473 3/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
NEK2 P51955 1/20 0.40
KDM1A O60341 2/20 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
SCHEMBL17870665 0.75 ALDH1A1 (0.50) KDM4EMAPTGAAHPGDMEN1
SCHEMBL31661468 0.74 KDM4E (0.54) ABCG2KDM4EMAPTGAAHPGD
SCHEMBL2048111 0.74 KDM4E (0.54) ABCG2KDM4EMAPTGAAHPGD
Acridine SCHEMBL29278305 0.73 ALDH1A1 (0.68) KDM4EMAPTGAAHPGDMEN1
SCHEMBL8026750 0.72 ALDH1A1 (0.65) KDM4EMAPTGAAHPGDMEN1
SCHEMBL4939236 0.71 ALDH1A1 (0.61) ABCG2KDM4EMAPTGAAHPGD
SCHEMBL31105792 0.70 ALDH1A1 (0.49) KDM4EMAPTGAAHPGDMEN1
SCHEMBL3232438 0.70 ALDH1A1 (0.49) KDM4EMAPTGAAHPGDMEN1
SCHEMBL31314315 0.70 TDP1 (0.53) KDM4EMAPTGAAHPGDMEN1
SCHEMBL13405536 0.70 ALDH1A1 (0.49) KDM4EMAPTGAAHPGDMEN1

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-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF COLORADO 2007-11-29 US disclosed
WO-2005034856-A2 TARGETED DRUG-FORMALDEHYDE CONJUGATES AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-04-21 WO 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-20070275911-A1 Targeted Drug-Formaldehyde Conjugates and Methods of Making and Using the Same HCAR1, DHFR, FOLR1 ABCB1 24/4885ABCG2 9/4885KDM4E 1902/4885

“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.