SCHEMBL15045596

SCHEMBL15045596

Cc1ccc2c(cnc3cc(C)[nH]c32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ CYP2A6 P11509 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34

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
SCHEMBL15045562 0.83 CHEK1 (0.42) HTTSMN1; SMN2GAAL3MBTL1TDP1
SCHEMBL15045607 0.75 CCNK (0.40) LMNAALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13561519 0.75 SMN1; SMN2 (0.41) LMNAALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL10259398 0.74 NQO2 (0.47) ALDH1A1KDM4EL3MBTL1CYP1A2CHEK1
SCHEMBL30406008 0.73 ALDH1A1 (0.46) LMNAALDH1A1HTTKDM4EL3MBTL1
SCHEMBL28988476 0.73 ALDH1A1 (0.46) LMNAALDH1A1HTTKDM4EL3MBTL1
SCHEMBL13561660 0.73 CYP1A2 (0.46) LMNAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL18266925 0.70 GPR3 (0.62) ALDH1A1HTTSMN1; SMN2KDM4EL3MBTL1
SCHEMBL13561566 0.70 CHEK1 (0.42) CHEK1PARP1PIM1RPS6KA3
SCHEMBL15045622 0.70 ALDH1A1 (0.47) ALDH1A1GAACYP1A2CYP19A1PARP1

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 LMNA 1245/4885ALDH1A1 578/4885HTT 511/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 705/4885ALDH1A1 3470/4885HTT 728/4885

“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.

Send feedback