SCHEMBL12424324

SCHEMBL12424324

CC1(C)CCN(S(=O)(=O)c2cccnc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.52
ALDH1A1 P00352 2/20 0.51
NAPRT Q6XQN6 1/20 0.49
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 3/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
CHRNB4 P30926 1/20 0.46

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
SCHEMBL12384686 0.86 KDM4E (0.52) KDM4EHPGDALDH1A1NAPRTHSD17B10
SCHEMBL28859929 0.82 HPGD (0.66) KDM4EHPGDALDH1A1NAPRTHSD17B10
SCHEMBL27331342 0.82 KDM4E (0.64) KDM4EHPGDALDH1A1NAPRTHSD17B10
SCHEMBL13841319 0.81 POLB (0.65) KDM4EHPGDNAPRTHSD17B10SMN1; SMN2
SCHEMBL27083786 0.81 HPGD (0.68) KDM4EHPGDALDH1A1NAPRTKMT2A
SCHEMBL7603412 0.80 TSHR (0.68) HPGDALDH1A1HSD17B10KMT2AMAPK1
SCHEMBL2223794 0.80 KDM4E (0.58) KDM4EHPGDNAPRTHSD17B10KMT2A
SCHEMBL28254892 0.80 KDM4E (0.61) KDM4EHPGDALDH1A1NAPRTHSD17B10
SCHEMBL15014564 0.79 KDM4E (0.68) KDM4EHPGDALDH1A1HSD17B10KMT2A
SCHEMBL30610304 0.78 KDM4E (0.59) KDM4EHPGDNAPRTHSD17B10KMT2A

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 KDM4E 2333/4885HPGD 223/4885ALDH1A1 1168/4885

“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.