SCHEMBL5042769

SCHEMBL5042769

COc1cc2nc(C)cc(N3CCCC3)c2cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
STAT6 P42226 1/20 0.41
USP2 O75604 1/20 0.40
KMT5A Q9NQR1 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
TSHR P16473 1/20 0.40
SUV39H2 Q9H5I1 2/20 0.40
EHMT2 Q96KQ7 2/20 0.40
EHMT1 Q9H9B1 2/20 0.40
MAPT P10636 1/20 0.40
NTSR1 P30989 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL5037457 0.99 NCF1 (0.50) NCF1SMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL5042731 0.81 NCF1 (0.54) NCF1ALDH1A1KMT2ANPSR1KDM4E
SCHEMBL5513297 0.80 NCF1 (0.54) NCF1SMN1; SMN2USP2ADRB2ADRB1
SCHEMBL5518654 0.80 NCF1 (0.45) NCF1SMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL5517362 0.80 NCF1 (0.47) NCF1SMN1; SMN2ALDH1A1KMT2ANPSR1
Hydrochloric Acid SCHEMBL5042755 0.80 NCF1 (0.52) NCF1ALDH1A1KMT2ANPSR1KDM4E
SCHEMBL5529404 0.78 NCF1 (0.51) NCF1SMN1; SMN2ALDH1A1KMT2ANPSR1
SCHEMBL5519032 0.77 NCF1 (0.53) NCF1SMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL5035838 0.76 TSHR (0.46) NCF1ALDH1A1NPSR1KDM4EADRB2
SCHEMBL5401985 0.75 KDM4E (0.57) NCF1SMN1; SMN2ALDH1A1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 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 (2 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885SMN1; SMN2 4211/4885ALDH1A1 4803/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885SMN1; SMN2 4211/4885ALDH1A1 4803/4885

“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.