Sugi Predict

Sugi Predict / Compounds / SCHEMBL1110554

SCHEMBL1110554

SCHEMBL1110554

Nc1cc(C(F)(F)F)ccc1N1CCCCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.71
▸ KDM4E B2RXH2 5/20 0.71
▸ LMNA P02545 3/20 0.71
▸ GAA P10253 4/20 0.60
▸ HTT P42858 3/20 0.60
▸ S100B P04271 2/20 0.59
▸ PKM P14618 2/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ KEAP1 Q14145 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ KDR P35968 1/20 0.48
▸ SRPK2 P78362 1/20 0.48
▸ SRPK1 Q96SB4 1/20 0.48
▸ SRPK3 Q9UPE1 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ NPC1 O15118 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
SCHEMBL997022 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1110535 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL1110503 1.00 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL330331 0.98 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL5494223 0.95 ALDH1A1 (0.73) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL28338201 0.91 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23851033 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23850823 0.85 ALDH1A1 (0.89) ALDH1A1KDM4ELMNAGAAPKM
SCHEMBL6630046 0.85 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL23851217 0.83 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 — — US disclosed
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 — — US disclosed
US-8765941-B2 Aniline derivative having anti-RNA viral activity KINO PHARMA, INC. (JP) 2014-07-01 — — US disclosed
WO-2013137456-A1 ANTIVIRUS COMPOSITION 国立大学法人京都大学 (JP) 2013-09-19 — — WO disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 — — US disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 — — US disclosed
US-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KINOPHARMA, INC. (JP) 2011-03-10 — — US disclosed
EP-2279750-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY KinoPharma, Inc. (JP) 2011-02-02 — — EP 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 (1 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-20110059950-A1 ANILINE DERIVATIVE HAVING ANTI-RNA VIRAL ACTIVITY RNASEH1, SARS1, ADAR ALDH1A1 883/4885KDM4E 2428/4885LMNA 989/4885

“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.