SCHEMBL6830901

SCHEMBL6830901

CCN(CC)CCn1cc2c(n1)-c1c(C(=O)Nc3nncs3)c[nH]c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 2/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
BCAT2 O15382 1/20 0.31
POLB P06746 3/20 0.30

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
SCHEMBL6835981 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL7218318 0.82 LMNA (0.36) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL6309664 0.82 MAPT (0.34) KMT2AALDH1A1KDM4ETP53TSHR
SCHEMBL6305849 0.79 MAPT (0.36) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL7218239 0.71 GCK (0.33) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL6834410 0.70 NPC1 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6834084 0.68 NAMPT (0.44) SMN1; SMN2KMT2AALDH1A1KDM4ETSHR
SCHEMBL6834167 0.68 NAMPT (0.55) SMN1; SMN2KMT2AALDH1A1KDM4EMAPK1
SCHEMBL6833501 0.67 NAMPT (0.45) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL6309576 0.67 MAPT (0.38) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1

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-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
US-6653471-B2 Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction NEUROGEN CORPORATION 2003-11-25 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 (2 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 SMN1; SMN2 3794/4885KMT2A 2120/4885NPC1 1561/4885
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 SMN1; SMN2 3794/4885KMT2A 2120/4885NPC1 1561/4885

“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.