SCHEMBL5407808

SCHEMBL5407808

COC(=O)NN=C(N)CCl

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PKM P14618 2/20 0.33
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MIF P14174 1/20 0.30
DDAH1 O94760 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CASP6 P55212 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
SCHEMBL14900659 1.00 LMNA (0.33) LMNAPKMEPHX1ALDH1A1MIF
SCHEMBL271716 1.00 LMNA (0.33) LMNAPKMEPHX1ALDH1A1MIF
SCHEMBL16418041 0.82 RAB9A (0.40) LMNAPKMALDH1A1MIFTDP1
SCHEMBL14902832 0.79
SCHEMBL271148 0.78
SCHEMBL16449483 0.77
SCHEMBL11101825 0.75
SCHEMBL14900660 0.72 ALDH1A1 (0.35) ALDH1A1DDAH1
SCHEMBL14902790 0.71 TDP1 (0.36) ALDH1A1TDP1
SCHEMBL204110 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112684028-B Method for detecting purity of 2- (2-chloro-1-ethylene) hydrazide methyl formate 中山奕安泰医药科技有限公司 2022-05-17 CN disclosed
CN-112684028-A Method for detecting purity of 2- (2-chloro-1-ethylene) hydrazide methyl formate 中山奕安泰医药科技有限公司 2021-04-20 CN disclosed
US-7241798-B2 NK1 antagonists PFIZER INC. (US) 2007-07-10 US disclosed
US-20050272800-A1 NK1 antagonists PFIZER INC 2005-12-08 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-20050272800-A1 NK1 antagonists TACR1, TACR2, TAC3 LMNA 3937/4885PKM 877/4885EPHX1 1648/4885

“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.