Sugi Predict

Sugi Predict / Compounds / SCHEMBL19167646

SCHEMBL19167646

SCHEMBL19167646

c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc5ccc6cccc7ccc4c5c67)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ LMNA P02545 5/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ GLA P06280 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL19167002 1.00 HPGD (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19168095 1.00 HPGD (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19168482 0.99 HPGD (0.41) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19168140 0.98 HPGD (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19168113 0.98 HPGD (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19167156 0.96 HPGD (0.41) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19167341 0.95 HPGD (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19167359 0.95 MAPT (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19166280 0.95 MAPT (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL19167414 0.95 SMN1; SMN2 (0.41) HPGDALDH1A1MAPTMEN1KMT2A

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 HPGD 3711/4885ALDH1A1 1176/4885MAPT 3267/4885
US-20170213982-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE RER1, RBM12, H1-2 HPGD 3711/4885ALDH1A1 1176/4885MAPT 3267/4885

“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.