SCHEMBL23550100

SCHEMBL23550100

Nc1ccc2nnc(-c3ccccn3)n2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 5/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APLNR P35414 1/20 0.41
MET P08581 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 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
SCHEMBL30498963 0.77 SMN1; SMN2 (0.55) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL11013773 0.77 SMN1; SMN2 (0.55) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL23550595 0.76 MAPT (0.47) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL756109 0.74 PIK3CD (0.41) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL23550098 0.73 RXFP1 (0.56) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL16331977 0.73 NT5E (0.59) NPC1TP53SMN1; SMN2TSHRMET
SCHEMBL15013527 0.72 NPC1 (0.49) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL30242943 0.70 NPC1 (1.00) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL2474693 0.70 NPC1 (1.00) NPC1TP53SMN1; SMN2TSHRRAB9A
SCHEMBL17841547 0.70 NPC1 (0.54) NPC1TP53SMN1; SMN2TSHRRAB9A

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-20210188889-A1 PLATINUM COMPOUNDS FOR BINDING GUANINE QUADRUPLEXES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2021-06-24 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-20210188889-A1 PLATINUM COMPOUNDS FOR BINDING GUANINE QUADRUPLEXES PCNA, DDB1, SERBP1 NPC1 4133/4885TP53 64/4885SMN1; SMN2 1432/4885

“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.