SCHEMBL6399734

SCHEMBL6399734

SC1CCN(Cc2ccncc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
GBA1 P04062 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TRPV6 Q9H1D0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL6399821 0.82 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL171303 0.82 CYP1A2 (0.81) CYP1A2CYP3A4CYP2D6CYP2C19SIGMAR1
SCHEMBL6399377 0.81 CHRNB2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL2035515 0.79 MEN1 (0.48) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL1667057 0.79 ALDH1A1 (0.57) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL2035511 0.79 MEN1 (0.48) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL6403733 0.79 ALDH1A1 (0.57) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL14197749 0.79 HRH3 (0.54) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL25751530 0.79 MEN1 (0.48) CYP1A2CYP3A4MEN1KMT2APKM
SCHEMBL30031162 0.77 CYP2D6 (0.54) CYP1A2CYP3A4CYP2D6MEN1KMT2A

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
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 CYP1A2 3030/4885CYP3A4 3356/4885CYP2D6 1885/4885

“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.