SCHEMBL21098948

SCHEMBL21098948

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc(-c6ccc(-c7ccccn7)cc6)cc(-c6ccc(-c7ccccn7)cc6)c5)c5ccccc45)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
DHODH Q02127 2/20 0.46
RAB9A P51151 5/20 0.44
HPGD P15428 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
PKM P14618 2/20 0.44
KLF5 Q13887 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 4/20 0.42
METAP1 P53582 1/20 0.42
NTSR1 P30989 1/20 0.41

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
SCHEMBL20195353 0.96 TSHR (0.48) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL21099059 0.96 SMN1; SMN2 (0.46) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL21099056 0.94 KDM4E (0.46) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL17829306 0.93 KDM4E (0.50) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL23020137 0.90 GRM5 (0.49) TSHRHSD17B10MAPK1DHODHALDH1A1
SCHEMBL21098923 0.90 HSD17B10 (0.42) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL20195361 0.90 KDM4E (0.44) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL19794527 0.90 RAB9A (0.48) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL17829422 0.90 KDM4E (0.52) TSHRHSD17B10MAPK1DHODHRAB9A
SCHEMBL9958139 0.89 ALDH1A1 (0.47) TSHRHSD17B10MAPK1DHODHRAB9A

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-10323006-B2 Heterocyclic compound and organic light emitting element using same LG CHEM, LTD. (KR) 2019-06-18 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-10323006-B2 Heterocyclic compound and organic light emitting element using same CRY1, CRY2, NR2E3 TSHR 3517/4885HSD17B10 2186/4885MAPK1 3653/4885

“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.