SCHEMBL7930351

SCHEMBL7930351

CCCCP(CCCC)c1ccccc1-c1ccccc1N(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HTR6 P50406 1/20 0.33
TLR8 Q9NR97 1/20 0.33
NSD2 O96028 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 1/20 0.31
KCNN4 O15554 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28825843 0.86 HTR6 (0.36) ALDH1A1MAPTHTR6TLR8NSD2
SCHEMBL15658031 0.86 BCHE (0.36) ALDH1A1MAPTL3MBTL1KCNH2GAA
SCHEMBL1906252 0.81 ALDH1A1 (0.36) ALDH1A1MAPTL3MBTL1KCNH2GAA
SCHEMBL15658043 0.79 KCNH2 (0.38) ALDH1A1MAPTL3MBTL1KCNH2GAA
SCHEMBL15658419 0.79 KCNH2 (0.38) ALDH1A1MAPTL3MBTL1KCNH2GAA
SCHEMBL15659670 0.79 KCNH2 (0.38) ALDH1A1MAPTL3MBTL1KCNH2GAA
SCHEMBL15660148 0.76 KCNH2 (0.35) TDP1L3MBTL1KCNH2TSHRSMN1; SMN2
SCHEMBL1568442 0.76 TSHR (0.40) TSHR
SCHEMBL12465779 0.75 ALDH1A1 (0.38) ALDH1A1MAPTNSD2EGFRLMNA
SCHEMBL2652215 0.75 TSHR (0.39) TSHR

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-3720861-B1 CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-10-20 EP disclosed
US-10774092-B2 ULK1 inhibitors and methods using same SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-09-15 US disclosed
US-20190248806-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES 2019-08-15 US disclosed
WO-2019110613-A1 CHEMICAL PROCESS FOR THE SYNTHESIS OF HERBICIDAL PYRAZOLIDINEDIONE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-13 WO disclosed
US-9145426-B2 Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-09-29 US disclosed
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck, Sharp & Dohme Corp. (US) 2014-01-23 US disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 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 (3 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-20190248806-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME ULK1, ULK2, ULK3 ALDH1A1 4167/4885MAPT 517/4885HTR6 3025/4885
US-10774092-B2 ULK1 inhibitors and methods using same ULK1, ULK2, ULK3 ALDH1A1 4159/4885MAPT 406/4885HTR6 2867/4885
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, PSEN1, BACE2 ALDH1A1 1225/4885MAPT 6/4885HTR6 3653/4885

“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.