Sugi Predict

Sugi Predict / Compounds / SCHEMBL3198132

SCHEMBL3198132

SCHEMBL3198132

COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3cccc(CN4CCN(C(=O)OC)CC4)c3F)c2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ CYP2D6 P10635 1/20 0.48
▸ RORC P51449 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CCR3 P51677 7/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 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
SCHEMBL398207 0.92 HTT (0.52) ALDH1A1KDM4EPOLBCYP2D6RORC
SCHEMBL399267 0.90 RORC (0.48) ALDH1A1KDM4EPOLBCYP2D6RORC
SCHEMBL31696975 0.90 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBCYP2D6KMT2A
SCHEMBL402537 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBCYP2D6RORC
SCHEMBL22118313 0.89 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBCYP2D6KMT2A
SCHEMBL403024 0.88 FAAH (0.43) ALDH1A1KDM4EPOLBCYP2D6RORC
SCHEMBL402102 0.88 AHR (0.49) KDM4ECYP2D6RORCDHODHNPC1
SCHEMBL402878 0.88 RORC (0.46) ALDH1A1KDM4EPOLBCYP2D6RORC
Omecamtiv Mecarbil SCHEMBL29400097 0.87 RORC (0.47) ALDH1A1KDM4EPOLBCYP2D6RORC
SCHEMBL402422 0.87 KDM4E (0.47) ALDH1A1KDM4EPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US claimed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — 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 (3 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885

“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.