SCHEMBL19829270

SCHEMBL19829270

CCCN(CC)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.64
LMNA P02545 6/20 0.64
NPSR1 Q6W5P4 5/20 0.64
HTT P42858 3/20 0.64
RXFP1 Q9HBX9 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.60
JAK2 O60674 1/20 0.60
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 1/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
USP2 O75604 3/20 0.55
CASP1 P29466 1/20 0.53
XBP1 P17861 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL684310 0.95 RXFP1 (0.66) TSHRLMNANPSR1HTTRXFP1
Bamifylline SCHEMBL219043 0.92 RXFP1 (0.60) TSHRLMNANPSR1HTTRXFP1
Bamifylline SCHEMBL637064 0.91 RXFP1 (0.58) TSHRLMNANPSR1HTTRXFP1
Bamifylline SCHEMBL1648640 0.90 RXFP1 (0.57) TSHRLMNANPSR1HTTRXFP1
Bamifylline SCHEMBL27460692 0.86 RXFP1 (0.53) TSHRLMNANPSR1HTTRXFP1
Bamifylline SCHEMBL28086377 0.84 TSHR (0.53) TSHRLMNANPSR1HTTRXFP1
SCHEMBL684311 0.82 MLNR (0.53) TSHRLMNANPSR1HTTRXFP1
SCHEMBL683954 0.81 RXFP1 (0.66) TSHRLMNANPSR1HTTRXFP1
SCHEMBL8373802 0.81 RXFP1 (0.72) TSHRLMNANPSR1HTTRXFP1
SCHEMBL29376542 0.81 RXFP1 (0.72) TSHRLMNANPSR1HTTRXFP1

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-20180030453-A1 METHOD FOR IMPROVING LEARNING ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2018-02-01 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-20180030453-A1 METHOD FOR IMPROVING LEARNING NT5E, ADORA1, ENTPD5 TSHR 2789/4885LMNA 1842/4885NPSR1 559/4885

“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.