SCHEMBL19729322

SCHEMBL19729322

C=CCNC(=O)NC(=O)CC#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 1/20 0.53
MCL1 Q07820 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1417193 0.84
SCHEMBL17773000 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4MCL1SMN1; SMN2TSHR
SCHEMBL5138597 0.77 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL6147435 0.76 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2TSHRMAPTKDM4E
SCHEMBL17859666 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL17859667 0.75 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL417209 0.75 MCL1 (0.69) ALDH1A1CYP3A4MCL1SMN1; SMN2MAPT
SCHEMBL8060600 0.72 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL252121 0.72 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL3991887 0.72 MCL1 (0.71) ALDH1A1CYP3A4MCL1MAPTKDM4E

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
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2023-06-15 US disclosed
EP-3804725-A2 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY Rhode Island Hospital (US) 2021-04-14 EP disclosed
EP-3220914-B1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL (US) 2020-09-02 EP disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 US disclosed
US-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY RHODE ISLAND HOSPITAL 2017-12-21 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-20170362238-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885CYP3A4 3843/4885MCL1 152/4885
US-20230183253-A1 NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY POLRMT, NT5C3B, CHMP4B ALDH1A1 3359/4885CYP3A4 3843/4885MCL1 152/4885

“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.