SCHEMBL21798971

SCHEMBL21798971

CNC(CCNC(=O)C(=O)NCCC(NC)NC)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ANPEP P15144 4/20 0.38
RNPEP Q9H4A4 3/20 0.38
DNPEP Q9ULA0 2/20 0.38
ALDH1A1 P00352 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
DPP7 Q9UHL4 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4662744 0.85 TGFBR1 (0.36) SMN1; SMN2RAB9AGAANPC1L3MBTL1
SCHEMBL20718735 0.81 ANPEP (0.32) ANPEPRNPEPDNPEPALDH1A1CHRNB2
Hydrochloric Acid SCHEMBL406599 0.74 ZDHHC20 (0.47) GAAALDH1A1TSHR
SCHEMBL6602887 0.71 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL11125454 0.69
SCHEMBL12583973 0.67 CYP2C19 (0.50) SMN1; SMN2RAB9AGAANPC1ALDH1A1
SCHEMBL14560074 0.67 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AGAANPC1L3MBTL1
SCHEMBL9868278 0.65 ANPEP (0.56) SMN1; SMN2RAB9AGAANPC1L3MBTL1
SCHEMBL9182079 0.65 GABRR1 (0.52) ANPEPCYP1A2ENPEP
SCHEMBL7902653 0.65

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-11414531-B2 Nucleating agents, methods for their production, and associated polymer compositions BASF SE (DE) 2022-08-16 US disclosed
US-20200079929-A1 NUCLEATING AGENTS, METHODS FOR THEIR PRODUCTION, AND ASSOCIATED POLYMER COMPOSITIONS BASF SE (DE) 2020-03-12 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 (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-20200079929-A1 NUCLEATING AGENTS, METHODS FOR THEIR PRODUCTION, AND ASSOCIATED POLYMER COMPOSITIONS PHOSPHO1, NCAPD2, NUP50 SMN1; SMN2 2735/4885RAB9A 4221/4885GAA 3428/4885
US-11414531-B2 Nucleating agents, methods for their production, and associated polymer compositions PHOSPHO1, NCAPD2, NUP50 SMN1; SMN2 2735/4885RAB9A 4221/4885GAA 3428/4885

“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.