SCHEMBL19456617

SCHEMBL19456617

COc1ccc(-c2ccc(-c3ccc(-c4cccs4)c4nsnc34)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ MAPT P10636 7/20 0.42
▸ NPC1 O15118 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ PKM P14618 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 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
SCHEMBL21134114 0.88 CYP11B1 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2CYP3A4
SCHEMBL16265233 0.86 ALDH1A1 (0.43) MAPTNPC1KDM4ERAB9APKM
SCHEMBL19682268 0.82 APP (0.41) L3MBTL1ESR1CYP1A2CYP3A4CYP2C9
SCHEMBL19456624 0.81 CYP11B1 (0.40) L3MBTL1CYP3A4CYP11B1CYP11B2PDK2
SCHEMBL25070289 0.79 HSD17B1 (0.47) NPC1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL19636766 0.78 RARA (0.45) MAPTRAB9AL3MBTL1LMNACYP1A2
SCHEMBL22022025 0.76 APP (0.45) MAPTKDM4EESR1CYP1A2CYP3A4
SCHEMBL28476825 0.75 MAOB (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22238937 0.75 CYP2C19 (0.41) MAPTNPC1KDM4ERAB9AL3MBTL1
SCHEMBL21537527 0.75 APP (0.39) MAPTNPC1KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound MERCK PATENT GMBH (DE) 2019-07-09 — — US disclosed
US-20190127586-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2019-05-02 — — US disclosed
WO-2017174619-A1 INTERMEDIATES AND PROCEDURES FOR THE SYNTHESIS OF FUNCTIONAL MATERIALS MERCK PATENT GMBH (DE) 2017-10-12 — — 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-10344217-B2 Device for controlling the passage of energy, containing a dichroic dye compound CRY1, SLC25A1, CRY2 GABRA1 4561/4885GABRG2 4711/4885GABRB3 4744/4885

“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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