SCHEMBL15746313

SCHEMBL15746313

Nc1cc(Br)ccc1NC(=O)C1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.74
HDAC1 Q13547 8/20 0.61
HDAC2 Q92769 8/20 0.61
HDAC3 O15379 6/20 0.61
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR35 Q9HC97 1/20 0.51
ALDH1A1 P00352 1/20 0.48
CETP P11597 1/20 0.47

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
SCHEMBL7604703 0.88 HDAC1 (0.63) AAK1HDAC1HDAC2HDAC3GPR35
SCHEMBL17493733 0.85 AAK1 (1.00) AAK1HDAC1HDAC2HDAC3GAA
SCHEMBL18508243 0.85 AAK1 (0.59) AAK1HDAC1HDAC2HDAC3KMT2A
SCHEMBL15111081 0.84 AAK1 (0.61) AAK1HDAC1HDAC2HDAC3KMT2A
SCHEMBL8339616 0.82 AAK1 (0.53) AAK1HDAC1HDAC2HDAC3GAA
SCHEMBL25151822 0.81 HTT (0.52) AAK1HDAC1HDAC2HDAC3GAA
SCHEMBL17493751 0.79 AAK1 (0.57) AAK1HDAC1HDAC2HDAC3GAA
SCHEMBL17493705 0.78 AAK1 (1.00) AAK1KMT2AALDH1A1
SCHEMBL15594368 0.78 KMT2A (0.68) AAK1GAAKMT2AALDH1A1
SCHEMBL18664787 0.78 ALDH1A1 (0.60) AAK1HDAC1HDAC2HDAC3GAA

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-9512108-B2 9,9,10,10-Tetrafluoro-9,10-dihydrophenanthrene hepatitis C virus inhibitor and application thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-12-06 US disclosed
US-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-10-13 US disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 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-20160297804-A1 9,9,10,10-TETRAFLUORO-9,10-DIHYDROPHENANTHRENE HEPATITIS C VIRUS INHIBITOR AND APPLICATION THEREOF SLC10A1, CYP2C9, UGT1A9 AAK1 1985/4885HDAC1 969/4885HDAC2 2380/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 AAK1 3794/4885HDAC1 1019/4885HDAC2 1273/4885

“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.