SCHEMBL13630788

SCHEMBL13630788

CC(C)CCCNc1ncccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 1/20 0.50
TSHR P16473 2/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX12 P18054 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
PPIA P62937 1/20 0.37
SLC47A1 Q96FL8 1/20 0.36
TDP2 O95551 1/20 0.35
FGB P02675 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL14024944 0.94 ALDH1A1 (0.56) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL18462183 0.88 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL7442415 0.78 CYP2C19 (0.56) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL6490227 0.77 ALDH1A1 (0.65) ALDH1A1HPGDNPC1UTS2RHRH4
SCHEMBL5509361 0.76 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ARAB9A
SCHEMBL29306393 0.75 TLR8 (0.43) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL658589 0.75 ALDH1A1 (0.62) ALDH1A1HPGDKMT2ANPC1UTS2R
SCHEMBL23133240 0.74 HSP90AA1 (0.42) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL23133100 0.74 UTS2R (0.40) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL11922543 0.74 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-8865705-B2 Benzimidazole respiratory syncytial virus inhibitors JANSSEN R&D IRELAND (IE) 2014-10-21 US disclosed
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS JANSSEN R&D IRELAND (IE) 2013-10-10 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 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 (5 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A ALDH1A1 423/4885HPGD 873/4885TSHR 4663/4885
US-20130267508-A1 BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS INHIBITORS SBDS, CHUK, HAT1 ALDH1A1 1837/4885HPGD 1681/4885TSHR 4211/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 ALDH1A1 1359/4885HPGD 247/4885TSHR 2114/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 ALDH1A1 2576/4885HPGD 2666/4885TSHR 3851/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885HPGD 2979/4885TSHR 4851/4885

“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.