SCHEMBL20154424

SCHEMBL20154424

c1ccc(-c2nc(-c3ccccc3)nc(N3CCc4ccccc43)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ROCK1 Q13464 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 2/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL15614925 0.84 ADORA2A (0.47) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL24812038 0.83 HPGD (0.43) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL5063368 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL16183245 0.79 ACP1 (0.57) ALDH1A1HPGDMAPTLMNASMN1; SMN2
SCHEMBL5064225 0.78 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL3239758 0.75 ROCK1 (0.61) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL29721693 0.75 ROCK1 (0.61) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL19979462 0.74 SMN1; SMN2 (0.48) ALDH1A1NPC1RAB9AHPGDRXFP1
SCHEMBL21142245 0.74 SMN1; SMN2 (0.46) ALDH1A1NPC1RAB9AHPGDRXFP1
Hydrochloric Acid SCHEMBL27693256 0.74 ROCK1 (0.59) ALDH1A1NPC1RAB9AHPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220199913-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2022-06-23 US disclosed
US-11189802-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-11-30 US disclosed
US-11171295-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-11-09 US disclosed
US-20210083195-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-03-18 US disclosed
US-20180138420-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2018-05-17 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-20180138420-A1 ORGANIC ELECTROLUMINESCENT ELEMENT EML4, LAGE3, KCNN4 ALDH1A1 1545/4885NPC1 3851/4885RAB9A 3504/4885

“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.