SCHEMBL18326501

SCHEMBL18326501

c1ccc(N2c3ccccc3C3(c4ccccc4N4Cc5ccccc5-c5cccc3c54)c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
PKM P14618 4/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
PGR P06401 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 3/20 0.33
TLR9 Q9NR96 1/20 0.33
CYP11B2 P19099 1/20 0.32
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL16389371 0.93 PDE6D (0.37) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL16389447 0.91 RAB9A (0.46) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL18326500 0.90 HSD17B3 (0.34) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16389449 0.85 HSD17B3 (0.32) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16389473 0.83 HDAC4 (0.33) NPC1RAB9ASMN1; SMN2PKMNFKB1
SCHEMBL23805442 0.82 HSD17B3 (0.33) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16389437 0.82 HSD17B3 (0.33) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL16389446 0.82 HTR2A (0.32) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL16389432 0.82 KDM1A (0.33) NPC1RAB9ASMN1; SMN2LMNAADRA2A
SCHEMBL21000718 0.81 PDE6D (0.36) NPC1RAB9ASMN1; SMN2ADRA2AADRA2B

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-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 US disclosed
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-12-22 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-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS NPC1 3971/4885RAB9A 1790/4885SMN1; SMN2 3569/4885
US-20160372681-A1 SPIRO-CONDENSED LACTAM COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES PORCN, COASY, AAAS NPC1 3971/4885RAB9A 1790/4885SMN1; SMN2 3569/4885

“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.