SCHEMBL9320657

SCHEMBL9320657

COc1cccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.83
KMT2A Q03164 3/20 0.83
SIGMAR1 Q99720 4/20 0.75
ALDH1A1 P00352 4/20 0.69
KDM4E B2RXH2 3/20 0.69
GAA P10253 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
FAAH O00519 1/20 0.66
LMNA P02545 3/20 0.65
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.63
ATM Q13315 1/20 0.61

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
SCHEMBL6507060 0.89 MEN1 (0.70) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL6504122 0.88 MEN1 (0.72) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL5059902 0.85 ALDH1A1 (0.78) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL19002260 0.85 ALDH1A1 (0.76) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL2931334 0.84 SIGMAR1 (0.74) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL6499179 0.84 MEN1 (0.67) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL13149176 0.84 PKM (0.68) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL6509295 0.84 CCR8 (0.68) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL6497411 0.84 MEN1 (0.63) MEN1KMT2ASIGMAR1ALDH1A1KDM4E
SCHEMBL9513185 0.82 KMT2A (0.86) MEN1KMT2ASIGMAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
EP-0310268-B1 Substituted cycloalkanols AMERICAN HOME PROD (US) 1994-02-02 EP disclosed
US-4826844-A ANTIDEPRESSANT, ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed
EP-0310268-A2 Substituted cycloalkanols AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 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-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 MEN1 3085/4885KMT2A 558/4885SIGMAR1 251/4885

“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.