SCHEMBL19260458

SCHEMBL19260458

CN(C)c1ncccc1-c1ccnc(-c2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TGFBR1 P36897 12/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HIF1A Q16665 2/20 0.43
MITF O75030 1/20 0.43
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP1A2 P05177 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 1/20 0.40
KDM6B O15054 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
SCHEMBL11356632 0.82 KDM4E (0.54) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL7952182 0.76 KDM4E (0.67) KDM4EPOLBALDH1A1TGFBR1LMNA
SCHEMBL5914464 0.75 KDM4E (0.46) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL15835314 0.74 KDM4E (0.64) KDM4EPOLBALDH1A1TGFBR1LMNA
SCHEMBL944044 0.74 MKNK1 (0.41) KDM4EPOLBALDH1A1TGFBR1HTT
SCHEMBL28057386 0.72 CCR1 (0.58) KDM4EPOLBTGFBR1LMNASMN1; SMN2
SCHEMBL30636788 0.72 KDM4E (0.54) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL7966923 0.72 KDM4E (0.54) KDM4EPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL14715801 0.71 KDM4E (0.47) KDM4EPOLBALDH1A1TGFBR1LMNA
SCHEMBL30606847 0.71 KDM4E (0.58) KDM4EPOLBALDH1A1TGFBR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11590241-B2 Nanoparticle conjugated synthetic opioid prodrugs and methods of their uses VIRGINIA COMMONWEALTH UNIVERSITY (US) 2023-02-28 US disclosed
US-20210205472-A1 NANOPARTICLE CONJUGATED SYNTHETIC OPIOID PRODRUGS AND METHODS OF THEIR USES VIRGINIA COMMONWEALTH UNIVERSITY 2021-07-08 US disclosed
EP-3416644-A1 NANOPARTICLE CONJUGATED SYNTHETIC OPIOID PRODRUGS AND METHODS OF THEIR USE Virginia Commonwealth University (US) 2018-12-26 EP disclosed
WO-2017143126-A1 NANOPARTICLE CONJUGATED SYNTHETIC OPIOID PRODRUGS AND METHODS OF THEIR USE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-08-24 WO 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 (2 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-11590241-B2 Nanoparticle conjugated synthetic opioid prodrugs and methods of their uses OPRM1, OPRK1, OPRL1 KDM4E 3558/4885POLB 1041/4885ALDH1A1 568/4885
US-20210205472-A1 NANOPARTICLE CONJUGATED SYNTHETIC OPIOID PRODRUGS AND METHODS OF THEIR USES OPRM1, OPRK1, OPRL1 KDM4E 3558/4885POLB 1041/4885ALDH1A1 568/4885

“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.