SCHEMBL3768024

SCHEMBL3768024

CO[C@H]1CN(c2ccnc3ccc(-c4c[nH]nc4C)cc23)C[C@@H]1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.41
CHRM4 P08173 1/20 0.35
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 4/20 0.34
CLK4 Q9HAZ1 3/20 0.34
USP2 O75604 1/20 0.34
DYRK1B Q9Y463 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HIF1A Q16665 2/20 0.32

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 SCHEMBL3853325 0.99 NCF1 (0.40) NCF1CHRM4KMT2ATDP1ALDH1A1
SCHEMBL3767256 0.85 CHRM4 (0.43) NCF1CHRM4ALDH1A1CYP1A2CYP3A4
SCHEMBL13874431 0.85 CHRM4 (0.46) NCF1CHRM4ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3845747 0.85 CHRM4 (0.42) NCF1CHRM4ALDH1A1CYP1A2CYP3A4
SCHEMBL3768008 0.85 CHRM4 (0.38) NCF1CHRM4KMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3849538 0.84 CHRM4 (0.46) NCF1CHRM4ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3853437 0.84 CHRM4 (0.38) NCF1CHRM4KMT2AALDH1A1CYP1A2
SCHEMBL3851448 0.82 NCF1 (0.45) NCF1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL6637162 0.82 NCF1 (0.45) NCF1CHRM4ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5852112 0.81 NCF1 (0.44) NCF1KMT2AALDH1A1CYP1A2CYP3A4

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US claimed

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL NCF1 892/4885CHRM4 1206/4885KMT2A 1981/4885

“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.