SCHEMBL13488356

SCHEMBL13488356

CN/C(=N/C(N)=O)NCCCC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL12341227 0.81 GRIN2D (0.35) MAOAMAOB
SCHEMBL13488628 0.79 EPHX1 (0.47)
SCHEMBL10566374 0.77 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL19161737 0.77 KDM1A (0.62) KDM1A
SCHEMBL25983407 0.77 KDM1A (0.42) KDM1A
SCHEMBL21473435 0.77 KDM1A (0.37) KDM1A
Hydrochloric Acid SCHEMBL10755392 0.75 MMP1 (0.35) KDM1A
SCHEMBL13046403 0.74 MAOA (0.36) MAOAMAOBTDP1
SCHEMBL23419210 0.73 KDM1A (0.37) KDM1A
SCHEMBL19167980 0.72 KDM1A (0.39) KDM1A

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-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B KDM1A 580/4885MAOA 3651/4885MAOB 3383/4885

“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.