SCHEMBL6894905

SCHEMBL6894905

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
PHGDH O43175 2/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 1/20 0.31
MAOB P27338 1/20 0.31
TTR P02766 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL6673164 0.91 PHGDH (0.31) HSD17B10PHGDHP2RX7MAOBTTR
SCHEMBL6675972 0.89 PHGDH (0.38) HSD17B10PHGDHCYP3A4CYP2C19
SCHEMBL6672608 0.88 PHGDH (0.43) HSD17B10PHGDHCYP3A4CYP2C19ALDH1A1
SCHEMBL6675231 0.88 CCR1 (0.32) HSD17B10PHGDHHTTSMN1; SMN2P2RX7
SCHEMBL6671804 0.88 HTT (0.33) HSD17B10PHGDHHTTSMN1; SMN2P2RX7
SCHEMBL6898497 0.88 PHGDH (0.39) HSD17B10PHGDHHTTSMN1; SMN2KDM4E
SCHEMBL6676221 0.87 RXFP1 (0.34) HSD17B10HTTSMN1; SMN2TTRCYP2C19
SCHEMBL6674854 0.87 ADAMTS4 (0.31) HSD17B10
SCHEMBL6673176 0.87 GAA (0.39) HSD17B10HTTSMN1; SMN2TTRCYP3A4
SCHEMBL6672609 0.86 HSD17B10 (0.30) HSD17B10

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-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 HSD17B10 1124/4885PHGDH 2923/4885HTT 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.