SCHEMBL14629937

SCHEMBL14629937

CCCCCC(NCCCCCCN)NCCCCCCN

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
EPHX1 P07099 1/20 0.52
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
RRM1 P23921 1/20 0.42
TLR2 O60603 1/20 0.42
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL11772104 0.94 DNM1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL9110434 0.92 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1721427 0.92 DNM1 (0.44) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3446652 0.89 EPHX1 (0.46) DNM1ALDH1A1TSHREPHX1
SCHEMBL11775651 0.88 RRM1 (0.49) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8166834 0.88 RRM1 (0.49) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL6658508 0.85 DNM1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL11774595 0.85 DNM1 (0.40) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL31090410 0.84 DNM1 (0.52) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10879906 0.83 CA12 (0.54) MEN1KMT2ATSHR

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 8 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 claimed
US-9440928-B2 Process for the synthesis of N-substituted cyclic alkylene ureas Allnex IP S.ar.L. (LU) 2016-09-13 US claimed
US-20140179931-A1 Process for the Synthesis of N-Substituted Cyclic Alkylene Ureas ALLNEX USA INC. (US) 2014-06-26 US claimed
EP-2548869-A1 Process for the Synthesis of N-substituted Cyclic Alkylene Ureas Cytec Technology Corp. (US) 2013-01-23 EP claimed
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-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 DNM1 3537/4885MEN1 1827/4885KMT2A 996/4885

“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.