SCHEMBL14629935

SCHEMBL14629935

NCCNC1CCC(NCCN)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.41
CA12 O43570 3/20 0.37
CA6 P23280 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA5A P35218 2/20 0.35
SQLE Q14534 1/20 0.35
CA1 P00915 1/20 0.35
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4514731 1.00
Hydrochloric Acid SCHEMBL30606551 0.97
SCHEMBL10064482 0.91
SCHEMBL8489099 0.91
SCHEMBL14643941 0.89 SMYD3 (0.37) SMYD3CA12CA6CA7CA9
SCHEMBL23016010 0.88 KDM4E (0.46) ALDH1A1RAD52KDM4ECXCR4CXCL12
SCHEMBL1913633 0.88 KDM4E (0.46) ALDH1A1RAD52KDM4ECXCR4CXCL12
SCHEMBL13801723 0.88 KDM4E (0.46) ALDH1A1RAD52KDM4ECXCR4CXCL12
SCHEMBL24029510 0.88 KDM4E (0.46) ALDH1A1RAD52KDM4ECXCR4CXCL12
Hydrochloric Acid SCHEMBL31720531 0.88

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
EP-2734507-B1 PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED CYCLIC ALKYLENE UREAS ALLNEX IP S À R L (LU) 2017-05-31 EP disclosed
US-9440928-B2 Process for the synthesis of N-substituted cyclic alkylene ureas Allnex IP S.ar.L. (LU) 2016-09-13 US disclosed
US-20140179931-A1 Process for the Synthesis of N-Substituted Cyclic Alkylene Ureas ALLNEX USA INC. (US) 2014-06-26 US disclosed
EP-2734507-A1 PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED CYCLIC ALKYLENE UREAS Allnex IP S.à.r.l. (LU) 2014-05-28 EP disclosed
WO-2013012995-A1 PROCESS FOR THE SYNTHESIS OF N-SUBSTITUTED CYCLIC ALKYLENE UREAS CYTEC TECHNOLOGY CORP. (US) 2013-01-24 WO disclosed
EP-2548869-A1 Process for the Synthesis of N-substituted Cyclic Alkylene Ureas Cytec Technology Corp. (US) 2013-01-23 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-20140179931-A1 Process for the Synthesis of N-Substituted Cyclic Alkylene Ureas CA4, CA2, CDYL SMYD3 1695/4885CA12 5/4885CA6 16/4885

“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.