SCHEMBL4982441

SCHEMBL4982441

C=CCOc1ccc(C(=O)N(C)C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
PTPN1 P18031 3/20 0.53
FLT3 P36888 1/20 0.51
LSS P48449 2/20 0.46
KDM4E B2RXH2 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5 P09917 2/20 0.41
NPC1 O15118 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4979311 0.89 ALDH1A1 (0.50) ALDH1A1PTPN1FLT3KDM4EMEN1
SCHEMBL1938254 0.85 ALDH1A1 (0.64) ALDH1A1PTPN1FLT3KDM4ECYP3A4
SCHEMBL11653015 0.81 NPC1 (0.60) ALDH1A1MEN1LMNACYP1A2CYP3A4
SCHEMBL1940000 0.80 ALDH1A1 (0.58) ALDH1A1PTPN1FLT3KDM4ETHRA
SCHEMBL13924205 0.77 FLT3 (0.55) ALDH1A1PTPN1FLT3KDM4EMEN1
SCHEMBL9730094 0.76 ALDH1A1 (0.53) ALDH1A1PTPN1FLT3KDM4ETSHR
SCHEMBL24436737 0.76 ALDH1A1 (0.58) ALDH1A1PTPN1FLT3KDM4EMEN1
SCHEMBL262359 0.76 ALDH1A1 (0.60) ALDH1A1PTPN1FLT3LSSKDM4E
SCHEMBL22215820 0.75 KDM4E (0.57) ALDH1A1FLT3KDM4EMEN1LMNA
SCHEMBL2902590 0.74 FLT3 (0.66) ALDH1A1PTPN1FLT3KDM4EMEN1

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
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP 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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B ALDH1A1 91/4885PTPN1 3204/4885FLT3 628/4885

“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.