SCHEMBL484238

SCHEMBL484238

CC(C)(C)N(C(=O)O)c1ccc(C#Cc2nc3ccccc3n2CCF)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 5/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
LMNA P02545 2/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
MYC P01106 1/20 0.33

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
SCHEMBL2804309 0.78 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL13189539 0.78 CYP1A2 (0.41) CYP2C19MAPTCYP1A2HTTLMNA
SCHEMBL12403193 0.76 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL484109 0.76 CXCR4 (0.39) KMT2ACYP1A2CYP2D6HTTPOLB
SCHEMBL27961016 0.75 KDM4E (0.36) KDM4EALDH1A1RECQLSMN1; SMN2CYP2C9
SCHEMBL12402832 0.74 LMNA (0.36) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2163043 0.73 PAX8 (0.44) KDM4EALDH1A1RECQLSMN1; SMN2CYP2C9
SCHEMBL12324755 0.73 GRM5 (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C19MEN1
SCHEMBL484685 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL12403519 0.72 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2012-02-01 EP disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 KDM4E 4835/4885ALDH1A1 3926/4885RECQL 532/4885

“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.