SCHEMBL316006

SCHEMBL316006

O=c1[c]cccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
CTRC Q99895 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
BRD4 O60885 2/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43

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
SCHEMBL700827 0.83 EGLN1 (0.58) KDM4EALDH1A1SMN1; SMN2TP53HTT
SCHEMBL3718184 0.74 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2HDAC8HDAC6
SCHEMBL1768170 0.74 POLB (0.61) KDM4EALDH1A1L3MBTL1GSK3AGSK3B
Hydrochloric Acid SCHEMBL9523272 0.72 KDM4E (0.60) KDM4EALDH1A1L3MBTL1GSK3AGSK3B
SCHEMBL1440849 0.71
SCHEMBL1172565 0.69 CYP19A1 (0.42) KDM4EALDH1A1L3MBTL1GSK3AGSK3B
SCHEMBL8985073 0.69 GSK3B (0.67) KDM4EALDH1A1L3MBTL1GSK3AGSK3B
SCHEMBL15804049 0.69 BRD4 (0.54) KDM4EALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL29001250 0.69 LMNA (0.58) KDM4EALDH1A1L3MBTL1SMN1; SMN2HTT
SCHEMBL6696299 0.69 HTR6 (0.45) KDM4EALDH1A1L3MBTL1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US claimed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 KDM4E 3377/4885ALDH1A1 2650/4885L3MBTL1 3922/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KDM4E 954/4885ALDH1A1 2031/4885L3MBTL1 4863/4885

“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.