Sugi Predict

Sugi Predict / Compounds / SCHEMBL20250453

SCHEMBL20250453

SCHEMBL20250453

c1ccc(-c2ccc3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6)c6ccccc56)nc4c3n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.37
▸ ENPP1 P22413 4/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20250462 0.92 PARP1 (0.39) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL17899310 0.92 PARP1 (0.42) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL21103781 0.91 PARP1 (0.36) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL20250408 0.91 PARP1 (0.40) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL20250372 0.91 PARP1 (0.41) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL20250447 0.91 PARP1 (0.41) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL19768460 0.90 ESR1 (0.38) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL11992210 0.90 ENPP1 (0.41) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL20250388 0.89 PARP1 (0.40) PARP1ENPP1MEN1RAB9AKMT2A
SCHEMBL20250476 0.89 PARP1 (0.39) PARP1ENPP1MEN1RAB9AKMT2A

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-10937984-B2 Organic compound and light emitting diode and organic light emitting diode display device using the same LG DISPLAY CO., LTD. (KR) 2021-03-02 — — US disclosed
US-20180166647-A1 ORGANIC COMPOUND AND LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2018-06-14 — — US disclosed
US-20180166647-A1 ORGANIC COMPOUND AND LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2018-06-14 — — 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-10937984-B2 Organic compound and light emitting diode and organic light emitting diode display device using the same AOX1, ALDH1A2, OXER1 PARP1 3493/4885ENPP1 1400/4885MEN1 2200/4885
US-20180166647-A1 ORGANIC COMPOUND AND LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DIODE DISPLAY DEVICE USING THE SAME AOX1, ALDH1A2, OXER1 PARP1 3493/4885ENPP1 1400/4885MEN1 2200/4885

“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.