SCHEMBL6361997

SCHEMBL6361997

CN(C)C(=O)c1ccccc1I

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KEAP1 Q14145 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
POLB P06746 1/20 0.39
CXCR2 P25025 1/20 0.39

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
SCHEMBL188296 0.84 MEN1 (0.65) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL7899919 0.82 MEN1 (0.46) MEN1KMT2ASMN1; SMN2KEAP1TDP1
SCHEMBL10013772 0.80 POLB (0.64) MEN1KMT2ATDP1KDM4EPOLB
SCHEMBL31135393 0.80 MEN1 (0.41) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL11756196 0.79 P2RX4 (0.49) MEN1KMT2ASMN1; SMN2KEAP1TDP1
SCHEMBL10488519 0.78 TP53 (0.53) SMN1; SMN2KEAP1TDP1ALDH1A1MAPT
SCHEMBL15701907 0.77 KMT2A (0.41) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL18919835 0.77 KMT2A (0.39) MEN1KMT2ASMN1; SMN2TDP1ALDH1A1
SCHEMBL1018643 0.76 ALDH1A1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL354228 0.76 KMT2A (0.59) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382643-B FeCl3Catalytic synthesis method of amide compounds 中国人民解放军63975部队 2020-11-20 CN disclosed
WO-2017093544-A1 ALKYNYL PHOSPHINE GOLD COMPLEXES FOR TREATING BACTERIAL INFECTIONS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed
CN-106187803-A The synthetic method of the amides compound that a kind of phosphorus oxychloride promotes 中国人民解放军63975部队 2016-12-07 CN disclosed
CN-101208324-A Benzo [ b ] furan and benzo [ b ] thiophene derivatives LUNDBECK & CO AS H (DK) 2008-06-25 CN disclosed
CN-1620434-A Pyrrolidine-2-ones as factor Xa inhibitors GLAXO GROUP LTD (GB) 2005-05-25 CN disclosed
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 US disclosed
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 WO disclosed
US-4279887-A RADIOACTIVE SCANNING MEDI-PHYSICS, INC. (US) 1981-07-21 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-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 MEN1 1664/4885KMT2A 2900/4885SMN1; SMN2 2428/4885

“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.