SCHEMBL6671809

SCHEMBL6671809

CCc1cc(NC(=NO)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RX7 Q99572 4/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
PHGDH O43175 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADAMTS5 Q9UNA0 2/20 0.32
ADAMTS4 O75173 1/20 0.31
MAOB P27338 1/20 0.31
TTR P02766 1/20 0.31
MC4R P32245 1/20 0.31
ALK Q9UM73 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
SCHEMBL6675236 0.92 CYP3A4 (0.32) ALDH1A1MAPTLMNANPSR1P2RX7
SCHEMBL6674781 0.90 PHGDH (0.38) ALDH1A1MAPTLMNANPSR1HSD17B10
SCHEMBL6678312 0.89 PHGDH (0.42) ALDH1A1MAPTLMNAHSD17B10CYP3A4
SCHEMBL6675867 0.89 PHGDH (0.39) MAPTHTTSMN1; SMN2HSD17B10CYP3A4
SCHEMBL6894906 0.88 P2RX7 (0.36) ALDH1A1MAPTLMNANPSR1P2RX7
SCHEMBL6674458 0.87 HSD17B10 (0.42) ALDH1A1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL8699306 0.87 MAPT (0.42) ALDH1A1MAPTLMNANPSR1SMN1; SMN2
SCHEMBL6678200 0.87 HTT (0.31) HTTSMN1; SMN2MAOB
SCHEMBL6654791 0.86 PHGDH (0.43) ALDH1A1MAPTLMNASMN1; SMN2CYP3A4
SCHEMBL6673181 0.86 MAPT (0.40) ALDH1A1MAPTLMNANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424072-A1 N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors Samjin Pharmaceutical Co., Ltd. (KR) 2004-06-02 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ALDH1A1 58/4885MAPT 4877/4885LMNA 3343/4885

“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.