SCHEMBL7899744

SCHEMBL7899744

[C-]#[N+]c1c(SC)nc(-c2ccc(OC)cc2)nc1N1CCN(c2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
PIK3CA P42336 1/20 0.43
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL7899940 0.90 TSHR (0.47) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL4745163 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL7903597 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL7898400 0.82 HTR1A (0.44) ALDH1A1HSD17B10SMN1; SMN2KDM4ETP53
SCHEMBL7892613 0.82 PIK3CA (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTPIK3CA
SCHEMBL7900211 0.76 PRKCI (0.45) ALDH1A1SMN1; SMN2LMNAKDM4ETP53
SCHEMBL7892711 0.74 SIGMAR1 (0.51) ALDH1A1HSD17B10LMNAKDM4EMAPT
SCHEMBL7899808 0.74 TDP1 (0.42) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL7901560 0.73 GAA (0.52) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL4745253 0.72 HTT (0.53) ALDH1A1HSD17B10SMN1; SMN2LMNAKDM4E

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-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S ALDH1A1 825/4885HSD17B10 2890/4885SMN1; SMN2 83/4885

“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.