SCHEMBL2563773

SCHEMBL2563773

O=C(NCCN1CCCC1)c1cccc(B(O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP2C9 P11712 2/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
HPGD P15428 2/20 0.54
EPHX2 P34913 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP2C19 P33261 1/20 0.51
APP P05067 1/20 0.51
MAPT P10636 1/20 0.51
DRD4 P21917 1/20 0.51
SMYD2 Q9NRG4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL2558330 0.99 ERN1 (0.59) ERN1POLBSMN1; SMN2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL29956729 0.99 ALDH1A1 (0.56) ERN1POLBSMN1; SMN2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL29952399 0.97 ERN1 (0.58) ERN1POLBSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL1366895 0.89 CYP2C19 (0.66) ERN1POLBSMN1; SMN2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL16599364 0.88 CYP2C19 (0.65) ERN1POLBSMN1; SMN2CYP2C9ALDH1A1
SCHEMBL16599437 0.83 ALDH1A1 (0.68) POLBCYP2C9ALDH1A1NPSR1CYP1A2
SCHEMBL16599522 0.82 CYP1A2 (0.70) POLBCYP2C9ALDH1A1NPSR1CYP1A2
Hydrochloric Acid SCHEMBL16600469 0.82 ALDH1A1 (0.70) POLBSMN1; SMN2CYP2C9ALDH1A1NPSR1
SCHEMBL4268373 0.81 MAPT (0.73) ERN1CYP2C9ALDH1A1NPSR1CYP1A2
SCHEMBL280088 0.81 HSD17B10 (0.72) ERN1POLBCYP2C9ALDH1A1NPSR1

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-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3049394-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
WO-2015044167-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-04-02 WO disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 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-20160244437-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT ERN1 3709/4885POLB 2026/4885SMN1; SMN2 2458/4885

“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.