SCHEMBL6403389

SCHEMBL6403389

CN(Cc1ccccc1)C(=O)CCCl

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.79
NPC1 O15118 3/20 0.79
KMT2A Q03164 4/20 0.72
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
RIPK1 Q13546 1/20 0.54
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
HTT P42858 1/20 0.53
TSPO P30536 1/20 0.53
CDK4 P11802 1/20 0.52
MEN1 O00255 2/20 0.51
MAPK1 P28482 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.50
HSP90AA1 P07900 1/20 0.50

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
SCHEMBL415549 0.90 RAB9A (0.74) RAB9ANPC1KMT2ACA12CA9
SCHEMBL4072151 0.85 NPC1 (0.85) RAB9ANPC1KMT2ACA12CA9
SCHEMBL991685 0.85 RAB9A (0.72) RAB9ANPC1KMT2ACA12CA9
SCHEMBL7282371 0.84 NPC1 (0.89) RAB9ANPC1KMT2ACA12CA9
SCHEMBL12290151 0.84 NPC1 (0.82) RAB9ANPC1KMT2ACA12CA9
SCHEMBL1690816 0.84 NPC1 (0.82) RAB9ANPC1KMT2ACA12CA9
SCHEMBL4064581 0.84 KMT2A (1.00) RAB9ANPC1KMT2ACA12CA9
SCHEMBL8397202 0.82 NPC1 (0.86) RAB9ANPC1KMT2ACA12CA9
SCHEMBL4884116 0.82 NPC1 (0.79) RAB9ANPC1KMT2ACA12CA9
SCHEMBL5460753 0.81 ALDH1A1 (0.54) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0737232-A4 MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES ARQULE INC (US) 1997-11-26 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0737232-A1 MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES ARQULE, INC. (US) 1996-10-16 EP disclosed
WO-1995018186-A1 MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES ARQULE PARTNERS, L.P. (US) 1995-07-06 WO 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 RAB9A 2939/4885NPC1 3232/4885KMT2A 2222/4885

“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.