SCHEMBL17598622

SCHEMBL17598622

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cccc(-c5ccc(-c6ccccn6)cc5)c4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 4/20 0.43
NPC1 O15118 4/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 3/20 0.41
DHODH Q02127 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRM5 P41594 1/20 0.41
LMNA P02545 4/20 0.40
RAB9A P51151 4/20 0.40
GLA P06280 1/20 0.40
PKM P14618 3/20 0.40

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
SCHEMBL17829261 0.96 TNF (0.42) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL17829288 0.96 TNF (0.42) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL21099081 0.92 TNF (0.41) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL17598592 0.91 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17598658 0.89 SMN1; SMN2 (0.43) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL17829291 0.89 KDM4E (0.48) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL19171641 0.88 KDM4E (0.48) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL17945827 0.88 KDM4E (0.50) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL23633500 0.87 TNF (0.50) TNFALDH1A1MAPTKDM4EHPGD
SCHEMBL21317589 0.86 ALDH1A1 (0.49) TNFALDH1A1MAPTKDM4EHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995616-B1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2018-04-25 EP disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
US-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-16 US disclosed
EP-2995616-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG Chem, Ltd. (KR) 2016-03-16 EP 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-20160172598-A1 HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 TNF 1653/4885ALDH1A1 886/4885MAPT 166/4885

“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.