SCHEMBL1353095

SCHEMBL1353095

O=C(c1ccc(Br)c(F)c1)N1CCCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 12/20 0.63
TSHR P16473 3/20 0.63
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRIA3 P42263 1/20 0.50

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
SCHEMBL31533277 1.00 HPGD (0.63) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL971662 1.00 HPGD (0.63) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL1423763 0.98 HPGD (0.62) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL22053135 0.95 HPGD (0.58) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL29944147 0.85 MEN1 (0.71) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL31533272 0.84 KMT2A (0.60) HPGDTSHRMEN1KMT2ALMNA
SCHEMBL2934999 0.84 KMT2A (0.75) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL332889 0.84 KMT2A (0.60) HPGDTSHRMEN1KMT2ALMNA
SCHEMBL16345229 0.83 MEN1 (0.49) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL2655426 0.83 KMT2A (0.73) HPGDTSHRALDH1A1MEN1KMT2A

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-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B HPGD 1536/4885TSHR 650/4885ALDH1A1 637/4885

“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.