SCHEMBL3830545

SCHEMBL3830545

C1=CC(=Nc2ccccc2)C(Nc2ccccc2)=CC1=Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTT P42858 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 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
SCHEMBL13663468 0.74 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663469 0.74 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663464 0.74 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663466 0.74 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL5509711 0.73 MAPT (0.47) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL5509707 0.73 MAPT (0.47) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663471 0.72 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663465 0.72 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL13663467 0.72 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1HSD17B10L3MBTL1
SCHEMBL20198320 0.72 PABPC1 (0.44) ALDH1A1MAPTMAPK1TDP1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575392-B2 Charge-transporting varnish NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-05 — — US claimed
EP-2042484-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL IND LTD (JP) 2012-09-05 — — EP claimed
US-20090269688-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-29 — — US claimed
EP-2042484-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2009-04-01 — — EP claimed
CN-101489991-B Charge-transporting varnish NISSAN CHEMICAL IND LTD 2013-11-06 — — CN disclosed
US-8575392-B2 Charge-transporting varnish NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-05 — — US disclosed
US-8575392-B2 Charge-transporting varnish NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-05 — — US disclosed
EP-2042484-B1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL IND LTD (JP) 2012-09-05 — — EP disclosed
US-20090269688-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-29 — — US disclosed
US-20090269688-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-29 — — US disclosed
CN-101489991-A Charge-transporting varnish NISSAN CHEMICAL IND LTD (JP) 2009-07-22 — — CN disclosed
EP-2042484-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2009-04-01 — — EP disclosed
EP-2042484-A1 CHARGE-TRANSPORTING VARNISH Nissan Chemical Industries, Ltd. (JP) 2009-04-01 — — EP disclosed
WO-2008010474-A1 CHARGE-TRANSPORTING VARNISH NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-24 — — WO 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-20090269688-A1 CHARGE-TRANSPORTING VARNISH SLCO2A1, SLCO2B1, SLC43A1 ALDH1A1 688/4885MAPT 2228/4885MAPK1 3322/4885

“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.

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