SCHEMBL13328853

SCHEMBL13328853

COCCCNc1c(N2CCN(S(=O)(=O)c3ccc(Oc4c(I)cccc4N=O)cc3)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.37
▸ PKM P14618 2/20 0.37
▸ NPBWR1 P48145 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MCHR1 Q99705 3/20 0.33

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
SCHEMBL11943207 0.82 ALDH1A1 (0.48) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11943304 0.80 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11943296 0.75 MAPT (0.53) ALDH1A1MAPTCYP2C19NPSR1POLB
SCHEMBL11943284 0.73 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11946583 0.73 ALDH1A1 (0.61) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11943286 0.73 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11943197 0.72 ALDH1A1 (0.49) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11943203 0.72 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11954274 0.72 ALDH1A1 (0.64) ALDH1A1MAPTCYP3A4CYP2C19NPSR1
SCHEMBL11946600 0.71 LMNA (0.52) ALDH1A1MAPTPOLBDCTPP1PKM

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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885MAPT 3651/4885CYP3A4 1207/4885

“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.

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