SCHEMBL10174100

SCHEMBL10174100

NCCCC/C(N)=C/CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.58
CYP2D6 P10635 1/20 0.58
LMNA P02545 5/20 0.56
BLM P54132 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
THRB P10828 2/20 0.56
KMT2A Q03164 2/20 0.56
ALOX15 P16050 2/20 0.56
RECQL P46063 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PLG P00747 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TSHR P16473 2/20 0.48
CYP1A2 P05177 2/20 0.48
GABRR3 A8MPY1 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
HDAC3 O15379 1/20 0.48

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
5-Aminovaleric Acid SCHEMBL20502251 0.75 NFKB1 (0.89) NFKB1CYP2D6LMNABLMNPSR1
5-Aminovaleric Acid SCHEMBL887118 0.75 NFKB1 (1.00) NFKB1CYP2D6LMNABLMNPSR1
5-Aminovaleric Acid SCHEMBL190150 0.75
Adipic Acid SCHEMBL2537893 0.75 NFKB1 (1.00) NFKB1CYP2D6LMNABLMNPSR1
SCHEMBL14645288 0.73 DNM1 (0.42) LMNATHRBKMT2AALOX15RECQL
Putrescine SCHEMBL28343590 0.73 NFKB1 (0.84) NFKB1CYP2D6LMNABLMNPSR1
Aminocaproic Acid SCHEMBL612543 0.73 LMNA (0.90) NFKB1CYP2D6LMNABLMNPSR1
SCHEMBL8063170 0.73 GABRR3 (0.36) NFKB1LMNABLMNPSR1THRB
5-Aminovaleric Acid SCHEMBL25349504 0.73
Aminocaproic Acid SCHEMBL21141584 0.73 LMNA (1.00) NFKB1CYP2D6LMNABLMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE BAXTER INTERNATIONAL INC. (US) 2012-02-02 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-20120028901-A1 TFPI INHIBITORS AND METHODS OF USE TFPI, TFPI2, F3 NFKB1 714/4885CYP2D6 3856/4885LMNA 1445/4885

“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.