SCHEMBL5067764

SCHEMBL5067764

O=C(NCCN1CCOCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MGLL Q99685 2/20 0.57
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
ACHE P22303 2/20 0.52
CYP2C19 P33261 1/20 0.50
FAAH O00519 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
KCNJ1 P48048 1/20 0.49

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
Hydrochloric Acid SCHEMBL6345403 0.99 LMNA (0.58) LMNAMGLLPKMMEN1KMT2A
SCHEMBL26937854 0.93 MGLL (0.61) LMNAMGLLPKMKMT2ASMN1; SMN2
SCHEMBL8373755 0.82 HPGD (0.59) LMNAMEN1KMT2AACHECYP2C19
SCHEMBL7040997 0.81 LMNA (0.69) LMNAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL18703462 0.80 MGLL (0.78) MGLLPKMMEN1KMT2ASMN1; SMN2
SCHEMBL30417071 0.80 ALDH1A1 (0.76) LMNAPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17087197 0.80 ALDH1A1 (0.52) LMNAPKMKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1179999 0.79 LIPE (0.67) MEN1KMT2A
SCHEMBL19668622 0.79 KMT2A (0.58) LMNAPKMMEN1KMT2ASMN1; SMN2
SCHEMBL4440687 0.79 ACHE (0.49) LMNAMEN1KMT2AACHECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 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 (3 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-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 LMNA 4119/4885MGLL 3921/4885PKM 4683/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 LMNA 4119/4885MGLL 3921/4885PKM 4683/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD LMNA 3549/4885MGLL 1351/4885PKM 2245/4885

“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.