SCHEMBL20174736

SCHEMBL20174736

c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3sc3ccccc43)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 8/20 0.35
S1PR4 O95977 6/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATM Q13315 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 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
SCHEMBL20174627 0.98 S1PR5 (0.34) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL20174565 0.95 MEN1 (0.34) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20174612 0.92 S1PR5 (0.36) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL20174644 0.91 S1PR5 (0.35) S1PR5S1PR4ALDH1A1KDM4ECYP1A2
SCHEMBL20174615 0.91 S1PR5 (0.35) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL20174613 0.91 S1PR5 (0.36) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL19008468 0.89 MEN1 (0.35) MEN1KMT2AALDH1A1KDM4EADORA2A
SCHEMBL20174620 0.89 CYP1A1 (0.41) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL22326567 0.89 CYP1A1 (0.41) S1PR5S1PR4MEN1KMT2AALDH1A1
SCHEMBL22326584 0.89 S1PR5 (0.36) S1PR5S1PR4MEN1KMT2AALDH1A1

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 2 patents. 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
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 S1PR5 3034/4885S1PR4 1783/4885MEN1 611/4885

“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.