SCHEMBL6673176

SCHEMBL6673176

COC(=O)c1cc(N=C(NO)N2CCN(c3cc(F)cc(F)c3)CC2)c(OC)nc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 5/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TTR P02766 1/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6676221 0.93 RXFP1 (0.34) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL6676074 0.90 GAA (0.40) GAAKMT2AMEN1KDM4EMAPT
SCHEMBL6679160 0.90 PHGDH (0.40) GAAKMT2AMEN1KDM4EMAPT
SCHEMBL6672628 0.88 KMT2A (0.37) GAAKMT2AMEN1KDM4EMAPT
SCHEMBL6672609 0.88 HSD17B10 (0.30) HSD17B10
SCHEMBL6675492 0.88 MAPT (0.45) GAAKMT2AKDM4EMAPTALDH1A1
SCHEMBL6673384 0.88 GAA (0.39) GAAKMT2AMEN1KDM4EMAPT
SCHEMBL6894905 0.87 HSD17B10 (0.33) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL6671804 0.86 HTT (0.33) MAPTHPGDALDH1A1SMN1; SMN2HTT
SCHEMBL6673102 0.84 KDM4E (0.46) KMT2AMEN1KDM4EMAPTHPGD

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 GAA 4142/4885KMT2A 2664/4885MEN1 3862/4885

“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.