SCHEMBL14469415

SCHEMBL14469415

CCOC(=O)C(C#N)CCCC(/C(=N/N(C)C)C(F)(F)F)c1ccc(C(=O)OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 2/20 0.31
KMT2A Q03164 2/20 0.31
MITF O75030 1/20 0.31
TP53 P04637 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 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
SCHEMBL5497295 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL5497297 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL5497269 0.81 NOTUM (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL5497277 0.81 NOTUM (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL5491912 0.78 KDM4E (0.35) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL5491918 0.78 KDM4E (0.35) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL9039166 0.73 CYP4A11 (0.52) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL9343047 0.72 CYP4A11 (0.53) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL8982245 0.71 TDP1 (0.38) ALDH1A1KDM4EMAPTNPSR1LMNA
SCHEMBL9343689 0.71 CYP4A11 (0.52) ALDH1A1KDM4EMAPTLMNASMN1; SMN2

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-20070167377-A1 Inhibitors of glycinamide ribonucleotide transformylase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-19 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-20070167377-A1 Inhibitors of glycinamide ribonucleotide transformylase TYMS, NMT2, NMT1 ALDH1A1 726/4885KDM4E 1825/4885MAPT 2783/4885

“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.