SCHEMBL18904613

SCHEMBL18904613

C=C1Nc2ccccc2Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ AHR P35869 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HK1 P19367 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ GALK1 P51570 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ TDP2 O95551 1/20 0.41

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
Acridan SCHEMBL29446489 0.78 MAPT (0.65) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL29405807 0.78 MAPT (0.65) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL183367 0.78 MAPT (0.65) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL20594012 0.78 MAPT (0.65) NPC1MAPTKDM4ERAB9AAHR
SCHEMBL2087698 0.76 TDP2 (0.66) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL15412652 0.75 MAPT (0.62) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL10813635 0.75 MAPT (0.62) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL29006126 0.75 MAPT (0.62) NPC1MAPTKDM4ERAB9AAHR
SCHEMBL4571016 0.75 MAPT (0.62) NPC1MAPTKDM4ERAB9AAHR
Acridan SCHEMBL28832553 0.75 MAPT (0.62) NPC1MAPTKDM4ERAB9AAHR

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
WO-2021080997-A1 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS ALAIRION, INC. (US) 2021-04-29 — — WO disclosed
US-10927263-B2 Polymerizable composition and optically anisotropic body produced using the same DIC CORPORATION (JP) 2021-02-23 — — US disclosed
US-20190264034-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY PRODUCED USING THE SAME DIC CORPORATION (JP) 2019-08-29 — — US disclosed
WO-2017090418-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2017-06-01 — — 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 (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-10927263-B2 Polymerizable composition and optically anisotropic body produced using the same CRYAA, IK, LCP1 NPC1 4720/4885MAPT 161/4885KDM4E 3187/4885
US-20190264034-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY PRODUCED USING THE SAME CRYAA, IK, LCP1 NPC1 4720/4885MAPT 161/4885KDM4E 3187/4885

“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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