SCHEMBL6675231

SCHEMBL6675231

COc1nc(C)c(CO)cc1N=C(NO)N1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.32
NR1H2 P55055 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
P2RX7 Q99572 1/20 0.31
PHGDH O43175 1/20 0.30
TTK P33981 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
SCHEMBL6671804 0.92 HTT (0.33) HTTSMN1; SMN2HSD17B10P2RX7PHGDH
SCHEMBL6896764 0.90 PHGDH (0.36) CCR1HSD17B10PHGDH
SCHEMBL6676870 0.89 PHGDH (0.40) CCR1SMN1; SMN2HSD17B10PHGDH
SCHEMBL6678191 0.89 HTT (0.31) HTTSMN1; SMN2
SCHEMBL6894905 0.88 HSD17B10 (0.33) HTTSMN1; SMN2HSD17B10P2RX7PHGDH
SCHEMBL6675116 0.87 LMNA (0.37) HTTSMN1; SMN2HSD17B10PHGDH
SCHEMBL6674643 0.84 MAPT (0.45) HTTSMN1; SMN2
SCHEMBL6674854 0.84 ADAMTS4 (0.31) HSD17B10
SCHEMBL6676221 0.84 RXFP1 (0.34) HTTSMN1; SMN2HSD17B10
SCHEMBL6673176 0.84 GAA (0.39) HTTSMN1; SMN2HSD17B10

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 CCR1 15/4885NR1H2 1667/4885HTT 3774/4885

“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.