SCHEMBL2756594

SCHEMBL2756594

CCc1nc2ccc(-c3ccc(-c4ccc(C(C)C)cc4)cc3)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.54
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ DDAH1 O94760 1/20 0.49
▸ PRKCZ Q05513 1/20 0.47
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 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
SCHEMBL5989076 0.88 DDAH1 (0.54) AAK1GAAHTTDDAH1KDM4E
SCHEMBL20055596 0.87 GAA (0.43) AAK1GAAHTTDDAH1PRKCZ
SCHEMBL27825039 0.83 DDAH1 (0.62) AAK1GAAHTTDDAH1PRKCZ
SCHEMBL15996247 0.83 KMT2A (0.57) AAK1GAAHTTDDAH1CACNA1B
SCHEMBL15747145 0.83 KMT2A (0.57) AAK1GAAHTTDDAH1CACNA1B
SCHEMBL18462597 0.82 KDM4E (0.52) AAK1GAAHTTDDAH1KDM4E
SCHEMBL13963923 0.81 DDAH1 (0.59) AAK1GAAHTTDDAH1KDM4E
SCHEMBL20055644 0.80 AAK1 (0.47) AAK1GAAHTTDDAH1KDM4E
SCHEMBL2706618 0.80 KDM4E (0.57) AAK1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2706737 0.80 ALDH1A1 (0.56) AAK1GAAHDAC3HDAC1HDAC2

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
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 — — US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 — — US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885GAA 151/4885HTT 1294/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AAK1 3098/4885GAA 151/4885HTT 1294/4885

“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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