SCHEMBL2571027

SCHEMBL2571027

c1cnc(NCC2CCCO2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.58
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
UTS2R Q9UKP6 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HCAR3 P49019 1/20 0.48
LCK P06239 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
Water SCHEMBL4690707 0.98 KCNH3 (0.57) KCNH3POLBMAPTSMN1; SMN2HTT
Ether SCHEMBL4690703 0.90 KCNH3 (0.50) KCNH3POLBMAPTSMN1; SMN2HTT
SCHEMBL12523516 0.83 ALDH1A1 (0.55) KCNH3POLBSMN1; SMN2HTTKMT2A
SCHEMBL29952698 0.80 ALDH1A1 (0.52) KCNH3KMT2ANPC1RAB9AALDH1A1
SCHEMBL22752683 0.79 ALDH1A1 (0.51) KCNH3SMN1; SMN2HTTNPC1RAB9A
SCHEMBL12459209 0.79 ALDH1A1 (0.51) KCNH3POLBSMN1; SMN2HTTNPC1
SCHEMBL30181846 0.77 ALDH1A1 (0.52) KCNH3POLBSMN1; SMN2HTTKMT2A
SCHEMBL4812588 0.76 KCNH3 (0.58) KCNH3POLBMAPTSMN1; SMN2KMT2A
SCHEMBL27758374 0.75 UTS2R (0.52) KCNH3POLBMAPTSMN1; SMN2HTT
SCHEMBL20511114 0.75 KCNH3 (0.57) KCNH3POLBMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
EP-2382013-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-11-02 EP disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KCNH3 2199/4885POLB 1101/4885MAPT 845/4885

“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.