SCHEMBL3754873

SCHEMBL3754873

Cc1nc2sc3c(c2c(=O)n1N)CCCC3

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.94
LMNA P02545 7/20 0.70
KDM4E B2RXH2 6/20 0.70
SMN1; SMN2 Q16637 8/20 0.68
HPGD P15428 4/20 0.68
RAB9A P51151 3/20 0.68
HTT P42858 3/20 0.68
NPC1 O15118 1/20 0.68
CASP3 P42574 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
MAPK1 P28482 2/20 0.65
MAPT P10636 5/20 0.62
POLB P06746 4/20 0.62
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.62
HSD17B10 Q99714 2/20 0.60
HCRTR1 O43613 1/20 0.60
TP53 P04637 1/20 0.60
CASP1 P29466 1/20 0.60

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
SCHEMBL3749766 0.99 ALDH1A1 (0.92) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL3749453 0.97 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL2948940 0.84 ALDH1A1 (0.68) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL17909964 0.82 ALDH1A1 (0.66) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL2919879 0.76 ALDH1A1 (0.75) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL13407763 0.72 KMT2A (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL1101960 0.71 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL2952156 0.71 ALDH1A1 (0.70) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL3754226 0.71 GAK (0.67) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD
SCHEMBL2947859 0.71 SMN1; SMN2 (1.00) ALDH1A1LMNAKDM4ESMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
WO-2010138828-A2 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 ALDH1A1 1031/4885LMNA 741/4885KDM4E 680/4885

“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.