SCHEMBL20174493

SCHEMBL20174493

c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccccc3-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4sc5ccccc5c43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.37
S1PR4 O95977 7/20 0.37
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MET P08581 1/20 0.30
PIM1 P11309 1/20 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
SCHEMBL20179280 1.00 S1PR5 (0.37) S1PR5S1PR4ALOX5KDM4EMEN1
SCHEMBL20174520 0.93 S1PR5 (0.37) S1PR5S1PR4ALOX5KDM4EALDH1A1
SCHEMBL20174462 0.92 KDM4E (0.34) S1PR5S1PR4ALOX5KDM4EALDH1A1
SCHEMBL20174495 0.91 CYP1A1 (0.38) S1PR5S1PR4KDM4EMEN1ALDH1A1
SCHEMBL20174445 0.91 MEN1 (0.34) ALOX5KDM4EMEN1ALDH1A1TP53
SCHEMBL22326533 0.91 MEN1 (0.34) ALOX5KDM4EMEN1ALDH1A1TP53
SCHEMBL20174467 0.90 PDK2 (0.34) ALOX5KDM4EMEN1ALDH1A1TP53
SCHEMBL20174502 0.89 CYP1A1 (0.39) S1PR5S1PR4KDM4EMEN1ALDH1A1
SCHEMBL20174491 0.88 S1PR5 (0.37) S1PR5S1PR4ALOX5KDM4EMEN1
SCHEMBL20174528 0.88 PDK2 (0.36) ALOX5KDM4EMEN1ALDH1A1KMT2A

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-10738034-B2 Spiro compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2020-08-11 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
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 (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-10738034-B2 Spiro compound and organic light-emitting device comprising same CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885ALOX5 2705/4885
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG S1PR5 3034/4885S1PR4 1783/4885ALOX5 2705/4885

“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.