SCHEMBL1751922

SCHEMBL1751922

Brc1oc2ccccc2c1CN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ LMNA P02545 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ TSHR P16473 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ HTT P42858 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ TP53 P04637 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TLR9 Q9NR96 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ABCB1 P08183 1/20 0.48
▸ GAA P10253 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ MAOA P21397 1/20 0.42

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
SCHEMBL11212088 0.75 DRD2 (0.56) —
Bromide SCHEMBL11115019 0.74 DRD2 (0.55) —
SCHEMBL31499095 0.73 PLK1 (0.47) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL595563 0.73 PLK1 (0.47) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL31613082 0.73 ALDH1A1 (0.64) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL2903922 0.72 CYP1B1 (0.43) ALDH1A1KDM4ETSHRMAPTNPSR1
SCHEMBL595885 0.72 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL26837593 0.72 PLK1 (0.40) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL26837598 0.71 MAOA (0.52) ALDH1A1LMNAKDM4ETSHRMAPT
SCHEMBL7305898 0.69 SIGMAR1 (0.77) ALDH1A1LMNAKDM4ETSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 — — US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 — — US disclosed
US-9394249-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2016-07-19 — — US disclosed
US-20150307448-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2015-10-29 — — US disclosed
US-8802716-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-08-12 — — US disclosed
US-20130289075-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 — — US disclosed
US-20110294827-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-12-01 — — US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 — — US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 — — US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 — — US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 — — 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 ALDH1A1 3870/4885LMNA 643/4885KDM4E 3837/4885
US-20130289075-A1 IAP BINDING COMPOUNDS API5, BIRC5, BIRC2 ALDH1A1 3879/4885LMNA 659/4885KDM4E 3767/4885
US-20150307448-A1 IAP Binding Compounds BIRC5, API5, BIRC2 ALDH1A1 3870/4885LMNA 643/4885KDM4E 3837/4885
US-20110294827-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ALDH1A1 4014/4885LMNA 566/4885KDM4E 3718/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 ALDH1A1 4014/4885LMNA 566/4885KDM4E 3718/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 ALDH1A1 4014/4885LMNA 566/4885KDM4E 3718/4885

“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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