SCHEMBL20179281

SCHEMBL20179281

c1ccc(-c2ccc(-c3ccc4c(c3)-c3c(sc5ccccc35)C43c4ccccc4-c4cc(-c5ccc6sc7c(c6c5)-c5ccccc5C75c6ccccc6-c6c(-c7nc8ccccc8o7)cccc65)ccc43)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 6/20 0.37
HSD17B10 Q99714 6/20 0.37
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 6/20 0.37
TP53 P04637 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MET P08581 1/20 0.32
MAPT P10636 4/20 0.32
USP2 O75604 2/20 0.32
PTGS2 P35354 1/20 0.32
HCRTR1 O43613 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL20174668 0.82 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20174671 0.82 PDK2 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20179239 0.80 PDK2 (0.34) KDM4EALDH1A1MAPTLMNA
SCHEMBL20174649 0.79 PDK2 (0.44) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20174664 0.78 PDK2 (0.44) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20174645 0.74 KDM4E (0.38) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20174636 0.72 KDM4E (0.41) NPC1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL20174685 0.72 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1TP53MAPT
SCHEMBL20174657 0.71 MEN1 (0.38) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL20174651 0.71 MEN1 (0.39) KDM4EALDH1A1HPGDCYP2C19MAPT

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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG NPC1 2492/4885RAB9A 2250/4885SMN1; SMN2 3407/4885

“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.