SCHEMBL6862828

SCHEMBL6862828

COC(=O)c1cc(OCOCC[Si](C)(C)C)c2ccn(C(C)=O)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CREBBP Q92793 1/20 0.33
NPC1 O15118 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
EGFR P00533 1/20 0.31
MET P08581 1/20 0.31
NOTUM Q6P988 2/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
HTR6 P50406 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GLRA3 O75311 1/20 0.30
GLRB P48167 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6868555 0.87 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL6862708 0.85 KDM5A (0.36) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6870413 0.75 CREBBP (0.39) MAPTKDM4EALDH1A1CREBBPNPC1
SCHEMBL23536758 0.74 CA12 (0.48) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL31022865 0.71 NOTUM (0.43) MAPTALDH1A1NPC1NOTUMRAB9A
SCHEMBL29365247 0.71 MAPT (0.42) MAPTNOTUMRAB9ATDP1L3MBTL1
SCHEMBL25200448 0.71 MAPT (0.42) MAPTNOTUMRAB9ATDP1L3MBTL1
SCHEMBL28480511 0.70 MAPT (0.63) MAPTKDM4EALDH1A1HPGDNPC1
SCHEMBL6042807 0.70 ALOX15 (0.44) MAPTKDM4EALDH1A1TP53HPGD
SCHEMBL6041731 0.70 MAPT (0.46) MAPTKDM4EALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280796-B1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2004-03-24 EP disclosed
US-6703397-B2 REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES BASILEA PHARMACEUTICA AG (CH) 2004-03-09 US disclosed
US-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-06-26 US disclosed
EP-1280796-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001083474-A1 PYRIMIDINYL METHYL INDOLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2001-11-08 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-20030119857-A1 Pyrimidinyl methyl indole derivatives with antibacterial activity IDO1, IDO2, AANAT MAPT 4679/4885KDM4E 2066/4885ALDH1A1 550/4885

“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.