SCHEMBL5035807

SCHEMBL5035807

Cc1cc(N2CCCC2)c2ccc(OCc3ccc(C(F)(F)F)nc3Cl)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM4 P08173 1/20 0.35
PDGFRB P09619 1/20 0.35
ADRB2 P07550 2/20 0.34
ADRB1 P08588 1/20 0.34
ADAM17 P78536 2/20 0.34
MAPT P10636 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
ADAM33 Q9BZ11 1/20 0.34

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
SCHEMBL5040601 0.88 NCF1 (0.47) NCF1SMN1; SMN2USP2LMNATSHR
Hydrochloric Acid SCHEMBL5033388 0.87 NCF1 (0.46) NCF1SMN1; SMN2USP2LMNATSHR
SCHEMBL5035764 0.82 NCF1 (0.48) NCF1SMN1; SMN2USP2LMNATSHR
SCHEMBL5037441 0.82 NCF1 (0.50) NCF1MEN1KMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL5033328 0.82 NCF1 (0.47) NCF1SMN1; SMN2USP2LMNATSHR
Hydrochloric Acid SCHEMBL6377299 0.81 NCF1 (0.49) NCF1MEN1KMT2AADRB2ADRB1
SCHEMBL5040484 0.80 NCF1 (0.53) NCF1SMN1; SMN2USP2LMNATSHR
Hydrochloric Acid SCHEMBL5037584 0.79 NCF1 (0.52) NCF1SMN1; SMN2USP2LMNATSHR
SCHEMBL5042820 0.79 NCF1 (0.46) NCF1MEN1KMT2A
Hydrochloric Acid SCHEMBL5040609 0.79 NCF1 (0.46) NCF1MEN1KMT2A

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 4211/4885USP2 3489/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885SMN1; SMN2 4211/4885USP2 3489/4885

“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.