SCHEMBL7016069

SCHEMBL7016069

c1cc(N2CCC3(CC2)OCCO3)n2ccnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.40
▸ KDM4E B2RXH2 8/20 0.40
▸ LMNA P02545 7/20 0.40
▸ HPGD P15428 6/20 0.40
▸ MAPT P10636 6/20 0.40
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ GAA P10253 4/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HCRTR1 O43613 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL30778595 0.81 CDK8 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL30178157 0.81 BRD9 (0.46) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL21268731 0.75 PLD1 (0.44) ALDH1A1KDM4ECHEK1MAP4K4CSF1R
SCHEMBL22756578 0.75 HTR3E (0.45) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL30232598 0.74 F10 (0.37) ALDH1A1HPGDSMN1; SMN2HSD17B10CYP3A4
SCHEMBL24126733 0.69 F10 (0.41) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL10609657 0.69 CYP3A4 (0.51) ALDH1A1KDM4ELMNAHPGDMAPT
Hydrochloric Acid SCHEMBL7099422 0.68 F10 (0.40) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL3161270 0.67 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL8297011 0.66 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH ALDH1A1 4317/4885KDM4E 533/4885LMNA 3485/4885

“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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