SCHEMBL21923029

SCHEMBL21923029

O=C1NCCN1CCNCCN1CCN(CCN2CCNC2=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 8/20 0.40
POLB P06746 1/20 0.38
CREBBP Q92793 1/20 0.36

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
SCHEMBL22030391 0.92 ALDH1A1 (0.41) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL471729 0.91 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL22030393 0.90 ALDH1A1 (0.42) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL22030392 0.89 ALDH1A1 (0.49) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL24530434 0.88 KMT2A (0.42) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL18711241 0.82 KMT2A (0.48) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL259671 0.82 ACE2 (0.47) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL20734660 0.82 KMT2A (0.48) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL22341390 0.81 KMT2A (0.54) ALDH1A1KMT2ARAB9AKDM4ELMNA
SCHEMBL14426096 0.81 ALDH1A1 (0.42) ALDH1A1KMT2ARAB9AKDM4ELMNA

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
EP-3596039-B1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INT BV (NL) 2021-05-05 EP disclosed
US-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-04-30 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-20200131136-A1 PROCESS FOR MANUFACTURING CHAIN-EXTENDED HYDROXYETHYLETHYLENEAMINES, ETHYLENEAMINES, OR MIXTURES THEREOF HNMT, PNMT, HRH2 ALDH1A1 1004/4885KMT2A 446/4885RAB9A 1631/4885

“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.