SCHEMBL21481189

SCHEMBL21481189

c1ccc(-c2ncnc(-c3ccc(-c4ccc(-c5cccs5)o4)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 8/20 0.41
HPGD P15428 7/20 0.41
RAB9A P51151 6/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40

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
SCHEMBL21759614 0.91 MAPT (0.41) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28879176 0.83 ALDH1A1 (0.49) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28772850 0.82 NPC1 (0.46) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL14960825 0.73 DPP4 (0.47) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL499141 0.73 ALDH1A1 (0.53) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28154232 0.72 NPC1 (0.49) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28464758 0.71 PDE5A (0.49) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL27110794 0.71 KDM4E (0.50) NPC1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL23008430 0.71 NPC1 (0.52) NPC1SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL13719392 0.71 NPC1 (0.52) NPC1SMN1; SMN2MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672174-B2 Pyrene-triazine derivative and applications thereof in organic electronic component GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2023-06-06 US disclosed
US-11239428-B2 Boron-containing organic compound and applications thereof, organic mixture, and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-02-01 US disclosed
US-20190334093-A1 PYRENE-TRIAZINE DERIVATIVE AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC COMPONENT GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-31 US disclosed
US-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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 (4 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-20190334093-A1 PYRENE-TRIAZINE DERIVATIVE AND APPLICATIONS THEREOF IN ORGANIC ELECTRONIC COMPONENT TPR, TRPC5, TRPC4 NPC1 1367/4885SMN1; SMN2 3504/4885MAPT 509/4885
US-11672174-B2 Pyrene-triazine derivative and applications thereof in organic electronic component TPR, TRPC5, TRPC4 NPC1 1367/4885SMN1; SMN2 3504/4885MAPT 509/4885
US-11239428-B2 Boron-containing organic compound and applications thereof, organic mixture, and organic electronic device BCL6B, BCL6, BTD NPC1 618/4885SMN1; SMN2 2410/4885MAPT 1188/4885
US-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE PIEZO1, OR10J3, OR51E2 NPC1 856/4885SMN1; SMN2 3752/4885MAPT 2450/4885

“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.