SCHEMBL2992925

SCHEMBL2992925

O=S(=O)(c1ccccc1)N(C1CC[N]CC1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
APOBEC3G Q9HC16 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
ESR1 P03372 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 3/20 0.35
NR1H3 Q13133 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8349997 0.80 ALDH1A1 (0.69) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL3958286 0.79 CACNA1B (0.55) CACNA1B
SCHEMBL532533 0.79 KDM4E (0.46) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL2992342 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL13880078 0.73 HTR2A (0.51) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL14997384 0.72 HTR2A (0.61) HTR2ASIGMAR1SMN1; SMN2CACNA1B
SCHEMBL13932861 0.71 CACNA1B (0.57) L3MBTL1LMNASMN1; SMN2CACNA1B
SCHEMBL2505847 0.71 ALDH1A1 (0.83) ALDH1A1KDM4EMEN1KMT2AHTR2A
SCHEMBL2100232 0.71 HTR2A (0.51) ALDH1A1HTR2AHTR2CHSD17B10TDP1
SCHEMBL4279272 0.70 CCR5 (0.45) KMT2AHTR2AHTR2CCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2010-07-08 US disclosed
EP-2102212-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-09-23 EP disclosed
WO-2008056187-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-05-15 WO 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-20100173895-A1 IMIDAZOLOPYRIMIDINES AND IMIDAZOLOTRIAZINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) PARP1, PARP2, PARP15 ALDH1A1 364/4885KDM4E 3362/4885MEN1 3920/4885

“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.