SCHEMBL6706202

SCHEMBL6706202

CCN1CCN(c2ccc3c(=O)c(C(=O)OC)c(F)n(C4CC4)c3c2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
LMNA P02545 5/20 0.38
MAPT P10636 11/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
MITF O75030 1/20 0.35
ADRB2 P07550 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6708680 0.88 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL7029929 0.68 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL6706575 0.64 KDM4E (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL15387442 0.64 KDM4E (0.66) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL30287119 0.63 MAPT (0.64) ALDH1A1LMNAMAPTCYP1A2CYP2C9
SCHEMBL26087969 0.63 MAPT (0.64) ALDH1A1LMNAMAPTCYP1A2CYP2C9
SCHEMBL6708754 0.62 KDM4E (0.80) ALDH1A1LMNAMAPTKDM4EHPGD
SCHEMBL13778134 0.60 ALDH1A1 (0.67) ALDH1A1LMNAMAPTKDM4ECYP2D6
SCHEMBL6220871 0.59 MAPT (0.35) ALDH1A1MAPTKDM4ECYP2D6CYP2C19
SCHEMBL2314317 0.59 SMN1; SMN2 (0.56) ALDH1A1LMNAMAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040073030-A1 Process for the preparation of quinolone derivatives NATCO PHARMA LIMITED (IN) 2004-04-15 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 (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-20040073030-A1 Process for the preparation of quinolone derivatives CBR1, CYP4X1, NRAS ALDH1A1 1601/4885LMNA 3085/4885MAPT 4862/4885

“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.