SCHEMBL5873519

SCHEMBL5873519

CCNc1nc2ccc([N+](=O)[O-])cc2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.47
MAPT P10636 3/20 0.46
RIPK1 Q13546 5/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
GUCY1B2 O75343 1/20 0.43
GUCY1A2 P33402 1/20 0.43
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43
TTR P02766 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 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
SCHEMBL27431081 0.77 ALDH1A1 (0.52) MAPTHTTSMN1; SMN2TTRALDH1A1
SCHEMBL7097532 0.77 HTR1A (0.50) MAPTRIPK1KDM4EHTTSMN1; SMN2
Iodide SCHEMBL27670064 0.76 ALDH1A1 (0.50) MAPTHTTSMN1; SMN2TTRALDH1A1
SCHEMBL5873713 0.75 SMN1; SMN2 (0.49) MAPTHTTSMN1; SMN2TTRALDH1A1
SCHEMBL25527205 0.74 ALDH1A1 (0.41) PGK1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7694158 0.73 KMT2A (0.55) PGK1MAPTRIPK1KDM4EHTT
SCHEMBL5911017 0.72 ALDH1A1 (0.47) MAPTHTTALDH1A1KMT2ACYP3A4
SCHEMBL5982382 0.71 KAT2B (0.64) MAPTKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL7687815 0.71 LMNA (0.49) MAPTHTTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5910170 0.70 MAPT (0.47) MAPTKDM4EHTTSMN1; SMN2TTR

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
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 US disclosed
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP disclosed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R PGK1 4439/4885MAPT 545/4885RIPK1 3782/4885

“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.