SCHEMBL7900211

SCHEMBL7900211

[C-]#[N+]c1c(SC)nc(-c2ccccc2)nc1N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.42
ACHE P22303 1/20 0.42
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH1 P35367 1/20 0.39
ACKR3 P25106 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39

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 0.85 TSHR (0.47) ALDH1A1KDM4ENPSR1TSHRUSP2
SCHEMBL4747988 0.82 POLB (0.48) PRKCIALDH1A1KDM4ENPSR1TSHR
SCHEMBL7892711 0.79 SIGMAR1 (0.51) ALDH1A1KDM4ETSHRUSP2MAPT
SCHEMBL7901615 0.78 TP53 (0.49) PRKCIALDH1A1KDM4ETSHRUSP2
SCHEMBL7901560 0.78 GAA (0.52) ALDH1A1KDM4ENPSR1TSHRUSP2
SCHEMBL7899744 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1TSHRMAPT
SCHEMBL7892628 0.69 LMNA (0.50) ALDH1A1KDM4ENPSR1TSHRUSP2
SCHEMBL1333260 0.67 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1TSHRMAPT
SCHEMBL20804356 0.67 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1TSHRMAPT
SCHEMBL1331974 0.67 CYP1A2 (0.71) ALDH1A1KDM4ENPSR1TSHRMAPT

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 PRKCI 2457/4885ALDH1A1 825/4885KDM4E 1998/4885

“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.