SCHEMBL20174711

SCHEMBL20174711

c1ccc(-c2nc(-c3cccnc3)nc(-c3cccc4c3-c3oc5ccccc5c3C43c4ccccc4-c4ccccc43)n2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
PKM P14618 1/20 0.40
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 4/20 0.34
MAPK1 P28482 2/20 0.34
GRM5 P41594 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GBA1 P04062 3/20 0.33
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDK2 Q15119 2/20 0.33
POLB P06746 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
SCHEMBL20174268 0.90 KDM4E (0.41) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20179304 0.90 RAB9A (0.33) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174270 0.81 ALDH1A1 (0.41) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174715 0.80 PDK2 (0.39) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174716 0.80 ALDH1A1 (0.40) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174383 0.79 ALDH1A1 (0.41) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174274 0.78 PLA2G2A (0.33) SMN1; SMN2TP53TSHRALDH1A1KDM4E
SCHEMBL20179306 0.78 RAB9A (0.33) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL18732054 0.78 ALDH1A1 (0.39) SMN1; SMN2TP53TSHRRAB9ANPC1
SCHEMBL20174231 0.78 MAPT (0.34) SMN1; SMN2TP53TSHRRAB9ANPC1

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 SMN1; SMN2 3407/4885TP53 3634/4885TSHR 2800/4885

“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.