SCHEMBL15045558

SCHEMBL15045558

Cc1cc2ccc3c(C)cncc3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPT P10636 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CYP19A1 P11511 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ HIPK2 Q9H2X6 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ KEAP1 Q14145 1/20 0.30

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
SCHEMBL16892342 0.79 KDM4E (0.48) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15045566 0.75 ALDH1A1 (0.51) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL15045465 0.74 ACHE (0.45) GAAHTTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL10142469 0.74 CDK4 (0.45) HTTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL12328336 0.72 PARP1 (0.35) GAASMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL4429156 0.72 KDM4E (0.44) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13561660 0.71 CYP1A2 (0.46) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13561659 0.70 CYP2A6 (0.41) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL13561656 0.70 CYP1A2 (0.44) GAAHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL7915531 0.68 ALDH1A1 (0.66) GAAHTTSMN1; SMN2TDP1L3MBTL1

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-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 — — US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 — — 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 (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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 GAA 1195/4885HTT 511/4885SMN1; SMN2 1324/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L GAA 348/4885HTT 728/4885SMN1; SMN2 957/4885

“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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