SCHEMBL9976899

SCHEMBL9976899

c1ccc(-c2cc(-c3ccccc3)nc(-c3cc4ccc5ccccc5c4c4ccccc34)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
HPGD P15428 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NTSR1 P30989 1/20 0.42
PTGES O14684 1/20 0.42
NQO2 P16083 1/20 0.41
ACHE P22303 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 0.40
TSHR P16473 1/20 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
SCHEMBL19167141 0.90 MAPT (0.60) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL19143044 0.89 ALDH1A1 (0.43) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL12144395 0.88 MAPT (0.44) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL19166492 0.87 MAPT (0.56) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL19167137 0.87 PRKCZ (0.49) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL19167858 0.87 DHODH (0.50) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17692321 0.86 ALDH1A1 (0.48) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL26350146 0.85 MEN1 (0.42) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL17692008 0.84 MAPT (0.47) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL19166495 0.84 KDM4E (0.48) MAPTALDH1A1HPGDKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 US disclosed
US-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-9126943-B2 Nitrogenated heterocyclic ring derivative and organic electroluminescent element comprising same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-08 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 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-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, L1CAM, TMEM109 MAPT 1535/4885ALDH1A1 102/4885HPGD 3479/4885

“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.