SCHEMBL7559830

SCHEMBL7559830

CC1CNCc2sccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TAAR1 Q96RJ0 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PMP22 Q01453 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 14/20 0.38
HTR2A P28223 13/20 0.38
HTR2B P41595 12/20 0.38
PNMT P11086 1/20 0.35
ADRB1 P08588 1/20 0.35

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
SCHEMBL5086491 0.81 HTR2C (0.51) HTR2CHTR2AHTR2BPNMTADRB1
SCHEMBL2835224 0.76 MAPK1 (0.51) MAPK1CYP3A4ALOX15TSHRNFKB1
Hydrochloric Acid SCHEMBL11012392 0.74 MAPK1 (0.50) MAPK1CYP3A4ALOX15TSHRNFKB1
SCHEMBL14025921 0.72
SCHEMBL8349907 0.72
SCHEMBL8800661 0.71 PNMT (0.42) TAAR1HTR2CHTR2AHTR2BPNMT
SCHEMBL10928947 0.71 MAPK1 (0.61) MAPK1CYP3A4ALOX15TSHRNFKB1
SCHEMBL22445569 0.69 MAPK1 (0.42) MAPK1CYP3A4ALOX15TSHRNFKB1
SCHEMBL22458038 0.68
SCHEMBL22458036 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 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 (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-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 MAPK1 649/4885CYP3A4 75/4885ALOX15 3067/4885

“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.