SCHEMBL19166395

SCHEMBL19166395

c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 2/20 0.45
DHODH Q02127 2/20 0.45
HPGD P15428 6/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NTSR1 P30989 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 4/20 0.42
GLA P06280 1/20 0.42
MAOB P27338 5/20 0.40
MAOA P21397 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
METAP1 P53582 1/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL19168246 1.00 HSD17B10 (0.45) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19166391 0.95 HSD17B10 (0.45) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19168247 0.95 HSD17B10 (0.45) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19167773 0.95 HSD17B10 (0.45) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19167466 0.92 HSD17B10 (0.50) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19168467 0.90 SMN1; SMN2 (0.41) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL12210854 0.88 ALDH1A1 (0.50) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL16407280 0.86 HSD17B10 (0.40) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19167359 0.86 MAPT (0.42) HSD17B10MAPK1TSHRDHODHHPGD
SCHEMBL19166280 0.86 MAPT (0.42) HSD17B10MAPK1TSHRDHODHHPGD

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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-10-06 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 US disclosed
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-07-27 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-10797244-B2 Compound, material for organic electroluminescent element, organic electroluminescent element, and electronic device RER1, RBM12, H1-2 HSD17B10 2839/4885MAPK1 500/4885TSHR 1590/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 HSD17B10 2839/4885MAPK1 500/4885TSHR 1590/4885

“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.