SCHEMBL4156981

SCHEMBL4156981

O=C1CCCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.94
ALDH1A1 P00352 7/20 0.94
MAPT P10636 6/20 0.94
MAPK1 P28482 2/20 0.94
KDM4E B2RXH2 9/20 0.64
HPGD P15428 3/20 0.64
GAA P10253 1/20 0.64
HSD17B10 Q99714 7/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CCNB2 O95067 3/20 0.58
CDK1 P06493 3/20 0.58
CCNB1 P14635 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX15 P16050 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53

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
SCHEMBL31721163 0.97 LMNA (1.00) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL2360729 0.97 LMNA (1.00) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL4160282 0.90 LMNA (0.82) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL1003250 0.84 LMNA (0.78) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL29452862 0.84 LMNA (0.78) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL5239054 0.78 HSD17B10 (0.93) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL4022842 0.78 KDM4E (1.00) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL4234216 0.78 KDM4E (0.68) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL16433455 0.78 LMNA (0.68) LMNAALDH1A1MAPTMAPK1KDM4E
SCHEMBL6070964 0.78 KDM4E (0.68) LMNAALDH1A1MAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845742-B2 Therapeutic compounds and methods to treat infection RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-12-19 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2020-10-15 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
US-20090156621-A1 HCV INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-06-18 US disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1654228-B1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-7351733-B2 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION (US) 2008-04-01 US disclosed
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use SMITHKLINE BEECHAM CORPORATION 2006-07-20 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 (4 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-20200325124-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC47A1, SLC47A2 LMNA 3829/4885ALDH1A1 1099/4885MAPT 4489/4885
US-20090156621-A1 HCV INHIBITORS HAVCR2, MAVS, EIF2AK2 LMNA 4279/4885ALDH1A1 1558/4885MAPT 1187/4885
US-20060161002-A1 Tetrahydrocarbazole derivatives and their pharmaceutical use HMBS, UGT2B17, TPMT LMNA 2715/4885ALDH1A1 1218/4885MAPT 1102/4885
US-11845742-B2 Therapeutic compounds and methods to treat infection ABCB11, SLC47A1, SLC47A2 LMNA 3829/4885ALDH1A1 1099/4885MAPT 4489/4885

“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.