SCHEMBL6687934

SCHEMBL6687934

CCc1nc(OC)c(N=C(NO)N2CCN(c3cc(C)cc(C)c3)CC2)cc1CO

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 5/20 0.34
SUV39H2 Q9H5I1 3/20 0.33
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RY12 Q9H244 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
SCHEMBL6679250 0.92 DHFR (0.36) PHGDHSUV39H2CYP3A4LMNAHSD17B10
SCHEMBL7057399 0.91 SUV39H2 (0.30) SUV39H2
SCHEMBL6671882 0.91 PHGDH (0.37) PHGDHSUV39H2CYP3A4LMNAHSD17B10
SCHEMBL6673060 0.90 PHGDH (0.36) PHGDHSUV39H2MEN1KMT2A
SCHEMBL6678191 0.90 HTT (0.31)
SCHEMBL6896764 0.89 PHGDH (0.36) PHGDHSUV39H2CYP3A4LMNAHSD17B10
SCHEMBL6674780 0.87 PHGDH (0.36) PHGDHCYP3A4LMNAHSD17B10MEN1
SCHEMBL6678058 0.85 LMNA (0.34) PHGDHLMNAHSD17B10MEN1KMT2A
SCHEMBL6675481 0.84 HTR7 (0.35) LMNAPKMKMT2A
SCHEMBL6678709 0.82 DRD2 (0.35) LMNAMEN1KMT2A

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 PHGDH 2923/4885SUV39H2 3367/4885CYP3A4 339/4885

“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.